ChemicalBook--->CAS DataBase List--->18635-38-6

18635-38-6

18635-38-6 Structure

18635-38-6 Structure
IdentificationMore
[Name]

Methyl 2-acetylamino-3-chloropropionate
[CAS]

18635-38-6
[Synonyms]

2-ACETYLAMINO-3-CHLORO-PROPIONIC ACID METHYL ESTER
D,L-N-ACETYL-BETA-CHLOROALANINE, METHYL ESTER
METHYL 2-ACETYLAMINO-3-CHLOROPROPIONATE
Methyl2-acetylamino-3-chloropropanoate
N-acetylmine-3-chloro-L-alaninemethyl ester
N-acetylmine-3-chloro-L-serinemethyl ester
[EINECS(EC#)]

242-566-3
[Molecular Formula]

C6H10ClNO3
[MDL Number]

MFCD04039377
[Molecular Weight]

179.6
[MOL File]

18635-38-6.mol
Chemical PropertiesBack Directory
[Melting point ]

74-76°C
[Boiling point ]

303.6±27.0 °C(Predicted)
[density ]

1?+-.0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Dichloromethane, Ethyl Acetate, Methanol
[form ]

Solid
[pka]

14.01±0.46(Predicted)
[color ]

White
[InChI]

InChI=1S/C6H10ClNO3/c1-4(9)8-5(3-7)6(10)11-2/h5H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
[InChIKey]

IGKDMFMKAAPDDN-YFKPBYRVSA-N
[SMILES]

C(OC)(=O)[C@H](CCl)NC(C)=O
[CAS DataBase Reference]

18635-38-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Synthesis]

L-Alanine, 3-chloro-, methyl ester

32345-44-1

Acetic anhydride

108-24-7

Methyl 2-acetylamino-3-chloropropionate

18635-38-6

30 g of (R)-methyl 2-amino-3-chloropropionate was suspended in 400 mL of diethyl ether and cooled to 0-5°C. 20 mL of ethanoic anhydride was slowly added dropwise with stirring, maintaining the reaction temperature at 0-5°C, and stirring was continued for 40 minutes after completion of the dropwise addition. Subsequently, the reaction mixture was slowly warmed to 15-25°C and stirring was continued for 1-2 hours. Upon completion of the reaction, the precipitated solid product was collected by filtration and washed with cold diethyl ether. The resulting solid was dried under vacuum to afford 33.3 g of methyl (R)-2-acetamido-3-chloropropionate in 85% yield.

[References]

[1] Patent: CN104710324, 2016, B. Location in patent: Paragraph 0075; 0076
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 2-acetylamino-3-chloropropionate(18635-38-6)1HNMR
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