| Identification | More | [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 Properties | Back 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) |
| Hazard Information | Back Directory | [Chemical Properties]
White Solid | [Synthesis]
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 |
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