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Chemical Structure| 4760-34-3 Chemical Structure| 4760-34-3

Structure of 4760-34-3

Chemical Structure| 4760-34-3

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Product Details of [ 4760-34-3 ]

CAS No. :4760-34-3
Formula : C7H10N2
M.W : 122.17
SMILES Code : NC1=CC=CC=C1NC
MDL No. :MFCD00192314
InChI Key :RPKCLSMBVQLWIN-UHFFFAOYSA-N
Pubchem ID :78498

Safety of [ 4760-34-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302+H312+H332-H315-H319
Precautionary Statements:P261-P280-P305+P351+P338

Computational Chemistry of [ 4760-34-3 ] Show Less

Physicochemical Properties

Num. heavy atoms 9
Num. arom. heavy atoms 6
Fraction Csp3 0.14
Num. rotatable bonds 1
Num. H-bond acceptors 0.0
Num. H-bond donors 2.0
Molar Refractivity 40.15
TPSA ?

Topological Polar Surface Area: Calculated from
Ertl P. et al. 2000 J. Med. Chem.

38.05 Ų

Lipophilicity

Log Po/w (iLOGP)?

iLOGP: in-house physics-based method implemented from
Daina A et al. 2014 J. Chem. Inf. Model.

1.19
Log Po/w (XLOGP3)?

XLOGP3: Atomistic and knowledge-based method calculated by
XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry

1.23
Log Po/w (WLOGP)?

WLOGP: Atomistic method implemented from
Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.

1.13
Log Po/w (MLOGP)?

MLOGP: Topological method implemented from
Moriguchi I. et al. 1992 Chem. Pharm. Bull.
Moriguchi I. et al. 1994 Chem. Pharm. Bull.
Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.

1.15
Log Po/w (SILICOS-IT)?

SILICOS-IT: Hybrid fragmental/topological method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

0.81
Consensus Log Po/w?

Consensus Log Po/w: Average of all five predictions

1.1

Water Solubility

Log S (ESOL):?

ESOL: Topological method implemented from
Delaney JS. 2004 J. Chem. Inf. Model.

-1.8
Solubility 1.94 mg/ml ; 0.0159 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Very soluble
Log S (Ali)?

Ali: Topological method implemented from
Ali J. et al. 2012 J. Chem. Inf. Model.

-1.63
Solubility 2.89 mg/ml ; 0.0236 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Very soluble
Log S (SILICOS-IT)?

SILICOS-IT: Fragmental method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

-2.43
Solubility 0.454 mg/ml ; 0.00372 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Soluble

Pharmacokinetics

GI absorption?

Gatrointestinal absorption: according to the white of the BOILED-Egg

High
BBB permeant?

BBB permeation: according to the yolk of the BOILED-Egg

Yes
P-gp substrate?

P-glycoprotein substrate: SVM model built on 1033 molecules (training set)
and tested on 415 molecules (test set)
10-fold CV: ACC=0.72 / AUC=0.77
External: ACC=0.88 / AUC=0.94

No
CYP1A2 inhibitor?

Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.83 / AUC=0.90
External: ACC=0.84 / AUC=0.91

Yes
CYP2C19 inhibitor?

Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.80 / AUC=0.86
External: ACC=0.80 / AUC=0.87

No
CYP2C9 inhibitor?

Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set)
and tested on 2075 molecules (test set)
10-fold CV: ACC=0.78 / AUC=0.85
External: ACC=0.71 / AUC=0.81

No
CYP2D6 inhibitor?

Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set)
and tested on 1068 molecules (test set)
10-fold CV: ACC=0.79 / AUC=0.85
External: ACC=0.81 / AUC=0.87

No
CYP3A4 inhibitor?

Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set)
and tested on 2579 molecules (test set)
10-fold CV: ACC=0.77 / AUC=0.85
External: ACC=0.78 / AUC=0.86

No
Log Kp (skin permeation)?

Skin permeation: QSPR model implemented from
Potts RO and Guy RH. 1992 Pharm. Res.

-6.17 cm/s

Druglikeness

Lipinski?

Lipinski (Pfizer) filter: implemented from
Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev.
MW ≤ 500
MLOGP ≤ 4.15
N or O ≤ 10
NH or OH ≤ 5

0.0
Ghose?

Ghose filter: implemented from
Ghose AK. et al. 1999 J. Comb. Chem.
160 ≤ MW ≤ 480
-0.4 ≤ WLOGP ≤ 5.6
40 ≤ MR ≤ 130
20 ≤ atoms ≤ 70

None
Veber?

Veber (GSK) filter: implemented from
Veber DF. et al. 2002 J. Med. Chem.
Rotatable bonds ≤ 10
TPSA ≤ 140

0.0
Egan?

Egan (Pharmacia) filter: implemented from
Egan WJ. et al. 2000 J. Med. Chem.
WLOGP ≤ 5.88
TPSA ≤ 131.6

0.0
Muegge?

Muegge (Bayer) filter: implemented from
Muegge I. et al. 2001 J. Med. Chem.
200 ≤ MW ≤ 600
-2 ≤ XLOGP ≤ 5
TPSA ≤ 150
Num. rings ≤ 7
Num. carbon > 4
Num. heteroatoms > 1
Num. rotatable bonds ≤ 15
H-bond acc. ≤ 10
H-bond don. ≤ 5

1.0
Bioavailability Score?

Abbott Bioavailability Score: Probability of F > 10% in rat
implemented from
Martin YC. 2005 J. Med. Chem.

0.55

Medicinal Chemistry

PAINS?

Pan Assay Interference Structures: implemented from
Baell JB. & Holloway GA. 2010 J. Med. Chem.

0.0 alert
Brenk?

Structural Alert: implemented from
Brenk R. et al. 2008 ChemMedChem

1.0 alert: heavy_metal
Leadlikeness?

Leadlikeness: implemented from
Teague SJ. 1999 Angew. Chem. Int. Ed.
250 ≤ MW ≤ 350
XLOGP ≤ 3.5
Num. rotatable bonds ≤ 7

No; 1 violation:MW<1.0
Synthetic accessibility?

Synthetic accessibility score: from 1 (very easy) to 10 (very difficult)
based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties,
trained on 12'782'590 molecules and tested on 40 external molecules (r2 = 0.94)

1.0

Application In Synthesis of [ 4760-34-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 4760-34-3 ]

[ 4760-34-3 ] Synthesis Path-Downstream   1~28

  • 1
  • [ 64-17-5 ]
  • [ 100-52-7 ]
  • [ 4760-34-3 ]
  • [ 2622-63-1 ]
  • 2
  • [ 4760-34-3 ]
  • [ 459-73-4 ]
  • [ 20028-40-4 ]
  • 3
  • [ 5166-67-6 ]
  • [ 4760-34-3 ]
  • [ 123771-25-5 ]
  • 4
  • [ 120-51-4 ]
  • [ 4760-34-3 ]
  • [ 2622-63-1 ]
  • 5
  • [ 4760-34-3 ]
  • hydroxymethyl JandaJelTM resin-bound benzoyl ester [ No CAS ]
  • [ 2622-63-1 ]
  • 6
  • [ 100-52-7 ]
  • [ 4760-34-3 ]
  • [ 2622-63-1 ]
YieldReaction ConditionsOperation in experiment
97% With sodium metabisulfite; In N,N-dimethyl-formamide;Reflux; 8.4 g of compound c1, 7 g of benzaldehyde, 13gSodium metabisulfite,200mL dimethylformamide was added to the reaction flask Medium, reflux overnight. After the reaction is finished, cool to room temperature.Pour the reaction solution into 500 mL of ice water with stirring.Solid precipitated, suction filtered, and washed with ethanol, petroleum ether,Drying gave a solid, Compound d1 (11.3 g, yield 97percent).
94% With Ag2CO3/celite; In ethanol; at 70℃; for 3h; General procedure: To a mixture of 1,2-phenylenediamines (1.0 mmol) andaldehydes (1.1 mmol) in ethanol, 25 mol percent of Ag2CO3/Celite (3 mL) was added. The resulting mixture was stirredat 70 °C for 3 h. After this time, the reaction mixture wasdiluted with ethanol (50 mL) and the catalyst was separatedby filtration. Water was then added to the organic layer, andthe products were filtered and washed with water. All of theproducts are known compounds and characterized easily bycomparison with melting point, IR, [1?6] H NMR spectraldata reported in literature.
90% In water; N,N-dimethyl-formamide; at 80℃; General procedure: An ortho-phenylenediamine derivative 3 (1.0 mmol; 1.0 equiv) and an aldehyde 4 (1.0 mmol; 1.0 equiv) were dissolved in wet DMF (DMF 9.0 mL, H2O 1.0 mL). The resulting reaction mixture was stirred at 80°C in an open flask, and the reaction progress was monitored by TLC. On the complete consumption of 3, the reaction mixture was cooled to room temperature and concentrated under reduced pressure. The crude product obtained was purified by column chromatography on silica gel to afford the corresponding benzimidazole 5.
  • 7
  • [ 4760-34-3 ]
  • [ 100-51-6 ]
  • [ 2622-63-1 ]
  • 8
  • [ 65-85-0 ]
  • [ 4760-34-3 ]
  • [ 2622-63-1 ]
  • 9
  • [ 1455-21-6 ]
  • [ 91760-66-6 ]
  • [ 4760-34-3 ]
  • S-nonyl 4-(1-methyl-benzimidazol-2-yl)-3-bromothiobenzoate [ No CAS ]
  • 10
  • [ 110-96-3 ]
  • [ 91760-66-6 ]
  • [ 4760-34-3 ]
  • N,N-diisobutyl-4-(1-methyl-benzimidazol-2-yl)-3-bromobenzamide [ No CAS ]
  • 11
  • [ 91760-66-6 ]
  • [ 4760-34-3 ]
  • [ 71-36-3 ]
  • butyl 4-(1-methyl-benzimidazol-2-yl)-3-bromobenzoate [ No CAS ]
  • 12
  • [ 4760-34-3 ]
  • [ 2622-63-1 ]
  • 13
  • [ 4760-34-3 ]
  • [ 152628-03-0 ]
  • [ 884330-18-1 ]
YieldReaction ConditionsOperation in experiment
With dmap; dicyclohexyl-carbodiimide; In dichloromethane;Heating / reflux; EXAMPLE 7; ALTERNATE PROCESS FOR PREPARING 2-n-PROPYL-4-METHYL-6- (1- METHYL BENZAMIDAZOLE-2-YL) BENZAMIDAZOLE (FORMULA IV); STEP A; PREPARATION OF 7-METHYL-N-(2-(METHYLAMINO)PHENYL)^-PROPYL-SH-BENZODIIMIDAZOLE-S-CARBOXAMIDE (FORMULA IVA); 15 g of 2-n-propyl-4-methyl-benzimidazole-6-carboxyIic acid of Formula III, obtained in Example 1 , 2.O g of N-methyl o-phenylenediamine, 150 ml of dichloromethane, 7.8 g of dicyclohexyl carbodiimide (DCC), and 2.7 g of dimethylaminopyridine were stirred for about 15 minutes. Heated the reaction mass to reflux and maintained until completion of the reaction, and then cooled to room temperature. Filtered the reaction mass and washed with 75 ml of dichloromethane. Distilled the solvent from the filtrate under vacuum and added 30 ml of acetone to the residue. Stirred at 25-35 C for the separation of the solid, filtered the solid and washed with acetone (15 ml). Dried the solid at 50-55 C to get 6.0 g of the title compound.
  • 14
  • [ 610-09-3 ]
  • [ 4760-34-3 ]
  • trans-2-(1-methylbenzimidazol-2-yl)cyclohexanoic acid [ No CAS ]
  • 15
  • [ 100-47-0 ]
  • [ 4760-34-3 ]
  • [ 2622-63-1 ]
  • 16
  • [ 4760-34-3 ]
  • [ 152628-03-0 ]
  • [ 152628-02-9 ]
YieldReaction ConditionsOperation in experiment
90% Example 2; Variant 2; Methanesulphonic acid is heated to about 80 C. At a temperature of 75 C. to 85 C., 2-propyl-4-methyl-1H-benzimidazole-6-carboxylic acid is added. Then at 85 C. to 95 C. N-methyl-o-phenylene-diamine is added.The mixture is heated to110 C. to 130 C. and phosphorus pentoxide is metered in until an internal temperature of not more than 160 C. is reached. Then the mixture is stirred for 3 hours at a maximum temperature of 145 C. It is cooled to <100 C. and water is metered into the reaction mixture. 50% sodium hydroxide solution is added at <100 C. until a pH of less than 3 is obtained.Finally, treatments with charcoal are carried out at <100 C.At a temperature of <80 C. isopropanol is added and the mixture is adjusted with sodium hydroxide solution to a pH between 4.5 and 7. The aqueous phase is separated off. In order to precipitate dimethyl-2'-propyl-2,5'-bi-1H-benzimidazole water is metered in, the contents of the apparatus are cooled to at least 40 C. for technical reasons and the product is isolated.Yield: 78-90% of theoryHPLC purity: >99.5%.
Stirring blade, a thermometer, three-neck flask 1L fitted with condenser, 4-methyl--2-n-propyl -1H- benzimidazole-6-carboxylic acid 50.0g (229mmol) and polyphosphoric acid added and stirred and 300 g, heated to around 70 C., the reaction solution obtained was stirred for 30 minutes, added in portions over a period N- methyl -O- phenylenediamine 45.0g of (368mmol) 2 hours It was.After adding the entire amount, stirring for 1 hour at around 70 C., and stirred for 5 h warmed to near yet 130. C..After confirming the disappearance of 4-methyl--2-n-propyl -1H- benzimidazole-6-carboxylic acid by HPLC, was cooled to about 70 C., while maintaining the water 600g The temperature of the reaction solution at 70 to 85 C. It was dropped little by little.After the total amount dropwise, 30 C. and cooled to near, pH of the reaction solution with aqueous ammonia was adjusted to be pH 8.3, after stirring for 1 hour warmed to around 50 C., the solid by vacuum filtration It is filtered off and washed the solid was filtered off with water 200g in the vicinity of 50 , to obtain a wet product of light brown crystals.Stirring blade, a thermometer, three-neck flask 1L fitted with condenser, was added and stirred the wet product of the resulting pale brown crystals and water 900 g, after stirring for 1 hour warmed to around 50 C. , vacuum filtered off the solids by filtration, wash the solid was filtered off with 100g of water around 50 C., the resulting wet product was dried for 15 hours under reduced pressure, a pale crude benzimidazole body as brown crystals to obtain a body 60.3g.The crude product of the benzimidazole body was analyzed by HPLC, the purity was 98.20%, the content of methyl benzimidazole body 0.14%, the content of ethyl benzimidazole body with 0.07% there were. stirring blade, a thermometer, three-necked flask 100mL fitted with a condenser, a mixture of a crude product 5.0g of methanol 12g and water 50g benzimidazole body obtained in Production Example 1 was added after stirring on, the addition of hydrochloric acid 2.1g containing hydrogen chloride 0.78 g (21.4 mmol), stirred for 10 minutes at about 25 C., the solid in the reaction solution was confirmed to be dissolved.Then, was added aqueous ammonia 1.1g containing ammonia 0.28 g (16.5 mmol), precipitation of white crystals was confirmed.After stirring for 1 hour at about 25 C., vacuum filtered through the solid was filtered off, the solid was filtered off with water 5g were washed twice and dried for 12 hours at 60 C. under reduced pressure and the resulting wet biomass, to obtain a benzimidazole body 4.2g (13.9mmol) as white crystals.Recovery rate, which is calculated based on the mass of the crude product of the benzimidazole body was 84.4%.As a result of the benzimidazole body obtained was analyzed by HPLC, the purity was 99.56%, the content of methyl benzimidazole body 0.06%, the content of ethyl benzimidazole body 0.02% met.
  • 17
  • [ 4760-34-3 ]
  • [ 100-46-9 ]
  • [ 2622-63-1 ]
YieldReaction ConditionsOperation in experiment
83% With acide 2,4,6-trihydroxybenzoique; oxygen; In toluene; at 70℃; under 750.075 Torr; for 24h;Green chemistry; General procedure: To a two-necked flask, benzylamine derivatives 1 (4.5 mmol), o-phenylenediamine derivatives 2 (3.0 mmol), 4,6-dihydroxysalicylic acid (10 mol%), and distilled toluene (1.0 mL) were added, and then the reaction vessel was connected to an O2 balloon at room temperature. The mixture was stirred at 70 C under an O2 atmosphere for 24 h. The resulting mixture was transferred into a round-bottom flask using methanol (MeOH) and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (basified with Et3N (25 wt%) (eluent: hexane/EtOAc with 1.0 v/v% Et3N) to give the product 3.
  • 18
  • [ 55589-47-4 ]
  • [ 4760-34-3 ]
  • [ 1269771-55-2 ]
YieldReaction ConditionsOperation in experiment
76.5% With sulfur; In dimethyl sulfoxide; at 20 - 60℃; for 2.08333h; To a solution of <strong>[55589-47-4]3-methylpyridine-2-carbaldehyde</strong> (1 .00 g, 8.26 mmol) in DMSO (16 mL) was added /V-methylbenzene-1 ,2-diamine (1.01 g, 8.26 mmol). The reaction mixture was stirred at room temperature for 5 minutes, and then sulfur was added (8.26 mmol). After being degassed with nitrogen, the reaction mixture was warmed up to 60 °C and stirred for 2 hours. The reaction mixture was cooled to RT and added to a bi- phasic stirred solution of DCM and water (80 mL ea). The resulting emulsion was extracted with DCM (2 x 40 mL) and the combined organics were washed with water (3 x 40 mL), dried over MgS04, filtered and stripped to a red gum. The crude product was purified by flash column chromatography (40 g silica gel, 0-6 percent MeOH/DCM) to provide the title compound (1 .41 g, 76.5 percent).
  • 19
  • [ 118289-17-1 ]
  • [ 4760-34-3 ]
  • [ 1269771-39-2 ]
YieldReaction ConditionsOperation in experiment
40% With sulfur; In 1,1-dimethoxyethane; at 65 - 85℃; for 1.5h; To a solution of <strong>[118289-17-1]2-bromopyridine-4-carboxaldehyde</strong> (128 mg, 0.688 mmol) in DMA (3 mL) was added /V-methyl-O-phenylenediamine (84 mg, 0.688 mmol) followed by sulfur (22 mg, 0.688 mmol) and the mixture stirred at 65 °C for 1 hour, followed by heating to 85 °C for 30 mins. The reaction was cooled and quenched with water (10 ml_), extracted with EtOAc (25 ml_), dried over MgS04, filtered and stripped to a dark oil. The crude product was purified by Biotage flash chromatography (25 S, eluting with 20- 50 percent EtOAc / heptane over 10 CV, then holding for 2 CV) to afford the title compound (80 mg, 40 percent) as a pale brown solid. 1H NMR (400 MHz, DMSO-d6) d ppm 3.98 (s, 3 H) 7.29 - 7.35 (m, 1 H) 7.35 - 7.44 (m, 1 H) 7.71 (d, J=7.8 Hz, 1 H) 7.76 (d, J=7.6 Hz, 1 H) 7.97 (d, J=5.1 Hz, 1 H) 8.13 (s, 1 H) 8.61 (d, J=5.1 Hz, 1 H).
  • 20
  • [ 102645-33-0 ]
  • [ 4760-34-3 ]
  • [ 1269771-37-0 ]
YieldReaction ConditionsOperation in experiment
75% With sulfur; In dimethyl sulfoxide; at 20 - 60℃; for 2.58333h; To a solution of <strong>[102645-33-0]2,5-dichloropyridine-4-carbaldehyde</strong> (2.75 g, 15.62 mmol) in DMSO (63 mL) was added /V-methyl-O-phenylenediamine (1.91 g, 15.62 mmol) and the mixture stirred at ambient temperature for 5 mins. Sulfur (500 mg, 15.62 mmol) was added and the mixture warmed to 60 C and allowed to stir for 2.5 hrs. The reaction was then cooled to R.T. and added to a bi-phasic stirred solution of DCM and water (200 mL ea). The resulting emulsion was extracted with DCM (3 x 100 mL) and the combined organics were washed with water (3 x 100 mL), dried over MgS04, filtered and stripped to a crude red gum which was purified by Biotage flash chromatography (45 M loaded with DCM, eluting with EtOAc / heptane 5-30 % over 10 CV, then holding for 5 CV) to afford the title compound (3.22 g, 74 %) as a pale orange solid. 1H NMR (400 MHz, DMSO-d6) delta ppm 3.72 (s, 3 H) 7.26 - 7.35 (m, 1 H) 7.35 - 7.44 (m, 1 H) 7.69 (d, J=8.1 Hz, 1 H) 7.74 (d, J=8.1 Hz, 1 H) 7.95 (s, 1 H) 8.78 (s, 1 H). m/z (APCI+) for Ci3H9N3Cl2 278.05 / 280.00 (M+H)+.
  • 21
  • [ 4760-34-3 ]
  • benzoyl dimethyl phosphate sodium salt [ No CAS ]
  • [ 2622-63-1 ]
  • 22
  • [ 4760-34-3 ]
  • [ 614-21-1 ]
  • [ 2622-63-1 ]
  • 23
  • [ 1003-61-8 ]
  • [ 4760-34-3 ]
  • 5-(1-methyl-1H-benzo[d]imidazol-2-yl)thiazol-2-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
64% at 125℃; for 4h;Inert atmosphere; Prepared from N-methyl-1,2-phenylenediamine (0.548 g, 4.49 mmol), <strong>[1003-61-8]2-aminothiazole-5-carbaldehyde</strong> (0.512 g, 4.00 mmol), and PEG-400 (0.100 mL) using a reaction temperature of 125 C. The crude mixture was then dissolved in DCM/methanol and adsorbed onto silica gel. The adsorbed material was partially purified by flash column chromatography on silica gel using a gradient mixture of 0 to 10% (2 M ammonia in methanol) in dichloromethane. Chromatography was repeated using the same conditions to provide 22b (0.59 g, 64%) as a yellow solid.
  • 24
  • [ 4760-34-3 ]
  • [ 100-46-9 ]
  • [ 1632-83-3 ]
  • [ 2622-63-1 ]
  • 25
  • [ 93-97-0 ]
  • [ 4760-34-3 ]
  • [ 2622-63-1 ]
YieldReaction ConditionsOperation in experiment
99% In 1-methyl-pyrrolidin-2-one; water; at 445℃; under 187519.0 Torr; for 0.00277778h;Supercritical conditions; Under the same conditions as in Example 1-5 except that N-methyl-1,2-phenylenediamine (manufactured by Sigma-Aldrich) and benzoic acid hydride (manufactured by Tokyo Chemical Industry Co., Ltd.) were used at a pressure of 25 MPa, (13) was carried out in supercritical water. As a result, the reaction time was 10 seconds, and the yield was 99percent
  • 26
  • [ 99-14-9 ]
  • [ 4760-34-3 ]
  • [ 1632-83-3 ]
YieldReaction ConditionsOperation in experiment
48.3 g In a three-necked flask equipped with a water separator, a thermometer, a condenser, and a stirring device, 30 g of refined waste oil was added.39 g of N-methyl o-phenylenediamine and 70 ml of xylene were passed through nitrogen and slowly heated at 140 C. for 6.5 h. After evacuation at 190-200 mmHg, vacuum distillation was performed for 2.5-3 h and then at 20-25 mmHg. Distillation for 1 ~ 2h, until no liquid flow out, after cooling, add 110ml of 10% NaCl aqueous solution to the mixture and stir, heat the mixture to 80 C and heat 1h, cooled, let stand 2.0h, separated with a separatory funnel The upper oily substance was washed twice with water and the aqueous layer was separated. The oily phase was dried under vacuum to obtain a creamy oily fat-based inhibitor of N-methylbenzimidazoline, weighing 48.3 g
  • 27
  • [ 4657-12-9 ]
  • [ 4760-34-3 ]
  • [ 2622-63-1 ]
  • 28
  • [ 4760-34-3 ]
  • [ 20028-40-4 ]
 

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