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Quality Control of Nitrofurfural diacetate Purity: 97% SDS Specification

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Product Details of Nitrofurfural diacetate

CAS No. :	92-55-7
Formula :	C₉H₉NO₇
M.W :	243.17
SMILES Code :	O=[N+](C1=CC=C(C(OC(C)=O)OC(C)=O)O1)[O-]
MDL No. :	MFCD00003244
InChI Key :	HSXKWKJCZNRMJO-UHFFFAOYSA-N
Pubchem ID :	7097

Safety of Nitrofurfural diacetate

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P305+P351+P338

Application In Synthesis of Nitrofurfural diacetate

* 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 [ 92-55-7 ]

[ 92-55-7 ] Synthesis Path-Downstream 1~35

1
[ 98-01-1 ]
[ 108-24-7 ]
[ 92-55-7 ]

Yield	Reaction Conditions	Operation in experiment
82%	With sulfuric acid; nitric acid; at 0℃; for 2.41667h;	A premixed solution of concentrated nitric acid (8.6 mL, 12.2 g, 193.62 mmol) and concentrated sulphuric acid (0.06 mL, 1.1 g, 11.2 mmol) was added drop-wise into acetic anhydride (90 mL) at 0 C with stirring. To the above reaction mixture, furfural (1) (freshly distilled, 10.4 mL, 12.06 g, 125.5 mmol) was added drop-wise over a period of 45 min and stirred for 1 h at 0 C. Water (100 mL) was added to the mixture and stirred at room temperature for 30 min to obtain a white precipitate. To the reaction contents, 10 % NaOH solution was added until the pH of the mixture reached about 2.5 and the mixture was heated at 50 C for 1 h. After cooling to room temperature, the white precipitate formed was filtered, washed with water, recrystallized from anhydrous ethanol and dried to obtain diacetate compound 2.Yield: 24.84 g, 82 %.
156 kg	With sulfuric acid; nitric acid; at -10 - 60℃; for 2.75h;Large scale;	The acetic anhydride filtered through the filter,Concentrated sulfuric acid (98%),Concentrated nitric acid (95%),Furfural,The total mass is 180kg, 1.4kg, 60kg and 65kg, respectively, which are respectively put into the metering tank for use.Put the prepared acetic anhydride into the dry,In a reaction kettle with cooling water, stir.Cool down to -10 C;Instill a total of 1/7 of concentrated sulfuric acid,The drop rate is 0.1kg/min.Control the temperature of the reaction solution does not exceed -5 C;When the temperature is as low as -7 C, a total of 1/5 of concentrated nitric acid is added dropwise.The drop rate is 0.4kg/min.Control the temperature of the reaction solution does not exceed -3 C;Add 3/20 total of furfural,The drop rate is 0.1kg/min.Control the temperature of the reaction solution does not exceed 0 C;Then add three drops,That is, residual concentrated sulfuric acid,Concentrated nitric acid,Drop of furfural,The drip acceleration is 0.3kg/min, 1kg/min, 0.45kg/min, respectively, and the temperature of the control reaction solution is -3 to 3 C;After the material is added,Continue to stir the reaction for 45 minutes;After the reaction,Neutralize with an aqueous solution of sodium carbonate to slightly acidicWarming up to 55 C,The reaction was kept at 55-60 C for 2 hours;The insulation is over,Cool down to room temperature,filter,The filtrate was transferred to a centrifuge for centrifugation.It has a white loose fine crystal 156kg,The purity is 99.5%.

References: [1]Asian Journal of Chemistry,2018,vol. 30,p. 312 - 316.
[2]Journal of Organic Chemistry,2018,vol. 83,p. 4427 - 4440.
[3]Industrial and Engineering Chemistry,1955,vol. 47,p. 358,359.
[4]Patent: US2502114,1947, .
[5]Journal of Chemical Research, Miniprint,1989,p. 1201 - 1218.
[6]Collection of Czechoslovak Chemical Communications,1996,vol. 61,p. 1233 - 1243.
[7]Indian Journal of Heterocyclic Chemistry,2011,vol. 20,p. 313 - 316.
[8]Patent: CN109400559,2019,A .Location in patent: Paragraph 0018-0066.

2
[ 59-48-3 ]
[ 92-55-7 ]
[ 2731-46-6 ]

References: [1]Patent: US2872372,1957, .

3
[ 6301-02-6 ]
[ 92-55-7 ]
[ 67-20-9 ]

References: [1]Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan,1955,vol. 75,p. 117,119, 120.
Chem.Abstr.,1956,p. 1782.

4
[ 17352-41-9 ]
[ 92-55-7 ]
[ 3805-50-3 ]

References: [1]Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan,1955,vol. 75,p. 117,119, 120.
Chem.Abstr.,1956,p. 1782.

5
[ 54-85-3 ]
[ 92-55-7 ]
[ 156-47-8 ]

References: [1]Farmaco, Edizione Scientifica,1955,vol. 10,p. 413,423.

6
[ 109-84-2 ]
[ 92-55-7 ]
[ 67-45-8 ]

References: [1]Industrial and Engineering Chemistry,1955,vol. 47,p. 358,359.

7
[ 119-93-7 ]
[ 92-55-7 ]
[ 88855-78-1 ]

References: [1]Farmaco, Edizione Scientifica,1955,vol. 10,p. 413,423.

8
[ 92-55-7 ]
[ 117891-27-7 ]
2-hydroxy-4-[(5-nitro-furfurylidenethiohydrazinocarbonyl)-amino]-benzoic acid [ No CAS ]

References: [1]Journal of the American Chemical Society,1953,vol. 75,p. 6334.

9
[ 92-55-7 ]
[ 563-41-7 ]
[ 59-87-0 ]

References: [1]Industrial and Engineering Chemistry,1955,vol. 47,p. 358,359.

10
[ 92-55-7 ]
[ 4426-72-6 ]
[ 59-87-0 ]

References: [1]Industrial and Engineering Chemistry,1955,vol. 47,p. 358,359.

11
[ 92-55-7 ]
[ 92-87-5 ]
[ 30272-57-2 ]

References: [1]Farmaco, Edizione Scientifica,1955,vol. 10,p. 413,423.

12
[ 92-55-7 ]
[ 110-20-3 ]
[ 59-87-0 ]

References: [1]Patent: US2866795,1956, .

13
[ 92-55-7 ]
[ 698-63-5 ]

Yield	Reaction Conditions	Operation in experiment
89.2%	With indium(III) chloride; sulfuric acid; orthoformic acid triethyl ester; at 78 - 85℃; for 1.5h;	100 l) was charged with 60 L of ethanol, 50 kg of 5-nitro-furfural (compound l), 20 kg (82.25 mol), and 10% of sulfuric acid (^ (3) (4.11111, 111):Heated to 78 to 85 C, reacted for 1 and 5 h, concentrated under reduced pressure to remove ethanol to give a concentrate; the concentrate was dissolved in methylene chloride and washed three times with saturated sodium chloride to collect the methylene chloride layer; The crude product was purified by silica gel column chromatography (eluent PE: EA = 5: 1). The crude product was collected and the residue was purified by solidification on silica gel. Concentrated to give 5 - nitro - furfural pure product, the yield was 89.2%.[0077] If the preparation of nitramine too Seoul, then the reaction of the product without purification separation, directly used for the preparation of Nasisi Taier.[0078] (2) Preparation of nitrofurant crude[0079] In the dark conditions, 3-amino-5-methylthiomethyl-2-oxazolidinone (compound3) 14. 7 kg (90.66 mil) in ethanol (20 L) was added to the reaction solution (60 L) of step (1) cooled to 15 to 25 C of 5-nitro-furfural (compound 2) After precipitation, the reaction was carried out at 20 to 25 C for 2 hours. The solid was filtered and the residue was filtered. The filter cake was washed with cold ethanol (5 to 10 C) and dried to obtain crude nitrofurant.(3) refinement of nitrofurant[0081] in the dark conditions, take nitrofurant crude 5kg, add 95% ethanol 60L, heated to reflux, hot filter to get the filtrate; the filtrate to stand, precipitate solid, filter, filter cake with a small amount of 95% ethanol , The solvent was removed and dried to constant weight to give a light yellow nitrofurant extract with a yield of 95% and a total yield of 85.2%.
88%	With sulfuric acid; In water; at 100℃; for 0.166667h;	A mixture of 5-nitrofurfural diacetate(2) (10 g, 41.12 mmol) and 50 % aqueous sulphuric acid (100mL) was heated to 100 C for 10 min. After completion of the reaction, checked by TLC, the reaction mixture was cooled to room temperature and extracted with ethyl acetate (2 × 100 mL)and the organic layer was washed with water, brine solution and dried over anhydrous sodium sulphate, filtered and concentrated under reduced pressure to obtain 5-nitrofurfural 3. Yield:5.10 g, 88 %. m.p.: 35-36 C.
	With sulfuric acid; In water; at 20 - 50℃; for 0.833333 - 0.916667h;	5-nitro-2-furancarboxaldehyde (II) A total of 86.5 g of 5-nitrofurfurylidine diacetate was added in small portions to 90 ml of sulfuric acid (73% by weight) over a period of 10 to 15 min. The mixture was stirred for 30 min at ambient temperature, 10 min at 50C, cooled to 30C, and then poured onto 150 g of crushed ice. The mixture was filtered, sucked as dry as possible on A Buchner funnel with the aid of a rubber dental dam and this afforded 51.5 g of 5-nitro-2-furancarbox- aldehyde which melted at 32-34C.

	With phosphoric acid; In ethanol; water; for 1h;Reflux;	The 746 g (3.07mol) 5- nitro-2-furaldehyde diacetate 6,1500ml ethanol, 10% phosphoric acid (85% H3PO461ml + H2O936ml) solution into the reaction flask, was heated at reflux for 1h, cooled to room temperature, to give intermediate an ethanol solution 7.
	With sulfuric acid; In methanol; for 1h;Reflux; Large scale;	2) preparation of a compound represented by the formula D 5 - nitro-furfural Taking 225 kg a compound represented by the formula C 5 - ethyl nitrofurfural diacetate, by adding 1000 kg dissolved in methanol, dropping 90 kg concentrated sulfuric acid, reflux reaction 1h, for cooling to room temperature, a compound represented by the refractory fettling D 5 - nitro-furfural;
	With sulfuric acid; In ethanol; water;Reflux;	176 g of <strong>[92-55-7]5-nitro-2-furaldehyde diacetate</strong>, 441 ml of 95% ethanol and 352 ml of 10% sulfuric acid (35.2 g of purified water 316.8 g of sulfuric acid) were charged into a reaction flask and heated to reflux to give 5-nitrofurfural
	With trifluoroacetic acid; In ethanol; at 20℃; for 10h;Darkness;	Example 6Preparation of 5-nitrofurfuralIn the 2000ml reaction flask,Added 183 g of 5-nitrofurfuraldehyde diethyl ester,Add solvent 900wt.% ethanol 900ml,Add 86 g of trifluoroacetic acid and stir at room temperature for 10 hours in the dark. After the reaction is completed, no treatment is performed.
	With hydrogenchloride; In ethanol; water; for 1.5h;Reflux;	97.2 g of nitrofurfural diethyl ester, 310.0 g of ethanol and 36.0 g of hydrochloric acid were added, and the mixture was heated under reflux for 1.5 hours. After cooling, a hydrolyzed product of nitrofurfural diethyl ester was obtained, which was placed in a dropping funnel for use.

References: [1]Phosphorus, Sulfur and Silicon and the Related Elements,2004,vol. 179,p. 2645 - 2651.
[2]Molecules,2009,vol. 14,p. 4065 - 4078.
[3]Patent: CN105820145,2016,A .Location in patent: Paragraph 0075-0081.
[4]Asian Journal of Chemistry,2018,vol. 30,p. 312 - 316.
[5]Journal of Organic Chemistry,2018,vol. 83,p. 4427 - 4440.
[6]Journal of Chemical Research, Miniprint,1989,p. 1201 - 1218.
[7]Journal of the American Chemical Society,1930,vol. 52,p. 2550,2551.
[8]Journal of the Indian Chemical Society,1981,vol. 58,p. 217 - 219.
[9]Tetrahedron Letters,1995,vol. 36,p. 1779 - 1782.
[10]Collection of Czechoslovak Chemical Communications,1996,vol. 61,p. 1233 - 1243.
[11]Patent: WO2005/14585,2005,A1 .Location in patent: Page/Page column 18.
[12]Archiv der Pharmazie,2007,vol. 340,p. 635 - 641.
[13]Patent: CN103664923,2016,B .Location in patent: Paragraph 0049.
[14]Patent: CN104402874,2016,B .Location in patent: Paragraph 0067; 0071; 0072; 0073.
[15]Patent: CN103755696,2016,B .Location in patent: Paragraph 0047.
[16]Patent: CN107987069,2018,A .Location in patent: Paragraph 0024; 0066-0071.
[17]Patent: CN108084174,2018,A .Location in patent: Paragraph 0068; 0069; 0070; 0073.
[18]Patent: CN108383834,2018,A .Location in patent: Paragraph 0032; 0035; 0037; 0042; 0047.

14
[ 92-55-7 ]
[ 645-12-5 ]

References: [1],1959,p. 49.
Chem.Abstr.,1960,p. 6677.
[2]Journal of the American Chemical Society,1930,vol. 52,p. 2550,2551.

15
[ 92-55-7 ]
[ 112537-97-0 ]

References: [1]Patent: GB816886,1959, .

16
[ 92-55-7 ]
[ 156-44-5 ]

References: [1]Farmaco, Edizione Scientifica,1955,vol. 10,p. 413,423.

17
[ 92-55-7 ]
N-(5-diacetoxymethyl-3H-[2]furyliden)-acetamide [ No CAS ]

References: [1]Atti della Societa Peloritana di Scienze Fisiche, Matematiche e Naturali,1956,vol. 3,p. 413,416.

18
[ 92-55-7 ]
[ 2152-70-7 ]

References: [1]Japan P. 2974 <1952>; C.A. 1954 2115,.

19
[ 92-55-7 ]
[ 7197-93-5 ]

References: [1]Journal of the American Chemical Society,1930,vol. 52,p. 2550,2551.

20
[ 92-55-7 ]
[ 614-99-3 ]
bis-(5-ethoxycarbonyl-[2]furyl)-(5-oxo-5H-[2]furylidene)-methane [ No CAS ]

References: [1]Gazzetta Chimica Italiana,1938,vol. 68,p. 583,587.

21
[ 5904-70-1 ]
[ 92-55-7 ]

References: [1]Tohoku Journal of Agricultural Research,1954,vol. 5,p. 147,148.
[2]Journal of the American Chemical Society,1930,vol. 52,p. 2550,2551.
[3]Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan,1955,vol. 75,p. 424.
    Chem.Abstr.,1956,p. 2539.
[4]Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan,1955,vol. 75,p. 424.
    Chem.Abstr.,1956,p. 2539.
[5]Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan,1955,vol. 75,p. 424.
    Chem.Abstr.,1956,p. 2539.

22
[ 6635-42-3 ]
[ 92-55-7 ]
[ 19771-87-0 ]