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Chemical Structure| 1115-59-9 Chemical Structure| 1115-59-9
Chemical Structure| 1115-59-9

H-Ala-OEt·HCl

CAS No.: 1115-59-9

H-Ala-OEt·HCl is an alanine derivative, commonly used in peptide synthesis and drug chemistry research.

Synonyms: H-Ala-OEt.HCl

4.5 *For Research Use Only !

Cat. No.: A225538 Purity: 98%

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Product Details of H-Ala-OEt·HCl

CAS No. :1115-59-9
Formula : C5H12ClNO2
M.W : 153.61
SMILES Code : C[C@H](N)C(OCC)=O.[H]Cl
Synonyms :
H-Ala-OEt.HCl
MDL No. :MFCD00063662
InChI Key :JCXLZWMDXJFOOI-WCCKRBBISA-N
Pubchem ID :2724356

Safety of H-Ala-OEt·HCl

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

Application In Synthesis of H-Ala-OEt·HCl

* 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 [ 1115-59-9 ]

[ 1115-59-9 ] Synthesis Path-Downstream   1~6

  • 2
  • [ 1115-59-9 ]
  • [ 100-58-3 ]
  • [ 78603-91-5 ]
  • 3
  • [ 108-86-1 ]
  • [ 1115-59-9 ]
  • [ 78603-91-5 ]
  • 4
  • [ 1115-59-9 ]
  • [ 33300-72-0 ]
  • [ 189573-54-4 ]
  • 5
  • [ 58602-02-1 ]
  • [ 1115-59-9 ]
  • ethyl DL-2-[6-fluoro-3-nitropyridyl-2-amino]propionate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In acetonitrile; Step A <strong>[58602-02-1]2,6-difluoro-3-nitropyridine</strong> (14.68g,91.8mmol) was added to a mixture of DL-alanine ethyl ester hydrochloride (14.09g 92mmol) and potassium carbonate (25.3g, 183mmol) in acetonitrile (200ml) and the mixture stirred for 2 hours at room temperature. The reaction mixture was poured into water and extracted several times with ethyl acetate; the combined extracts were dried (MgSO4) and the solvent removed in vacuo leaving a viscous orange-yellow residue which solidified on standing. The solid was triturated with hexane and the solvent removed from the hexane soluble fraction leaving ethyl DL-2-[6-fluoro-3-nitropyridyl-2-amino]propionate as a yellow solid m.p. 49-51 C.
  • 6
  • [ 1115-59-9 ]
  • [ 61275-22-7 ]
YieldReaction ConditionsOperation in experiment
2.2 g l-Alanine ethyl ester hydrochloride (8.1 g, 52.4 mmol) was stirred in an ethanolic methylamine solution (36 mL, 289 mmol) for 97 h then evaporated. The residue was taken up in potassium carbonate (4 M, 30 mL) and sodium bicarbonate (saturated, 20 mL) then extracted with chloroform (5×25 mL), which was dried over sodium carbonate and evaporated to yield crude l-Alanine N-methylamide, a red oil (3.62 g, 35.5 mmol, 68%). A solution of the free amine (1.9 g, 18.5 mmol) in diethyl ether (200 mL) was treated with hydrogen chloride gas for 10 min before the product was removed by filtration and washed with diethyl ether to yield the hydrochloride salt, a clear crystalline solid (2.2 g, 16.0 mmol, 86%). This was further purified by recrystallisation from ethanol and hexane; mp 213-215 C; [alpha]D25 19.6 (c 0.1, CH3OH); numax (NaCl disk)/cm-1 3408, 1674, 1514, 1417, 1275, 1169; deltaH (400 MHz, D2O) 3.85 (1H, q, J 7.1, CH), 2.60 (3H, s, NCH3), 1.32 (3H, d, J 7.1, CCH3); deltaC (100 MHz, D2O) 174.1 (C), 51.2 (CH), 28.5 (CH3), 19.2 (CH3).
 

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