Methyl N-acetyl-3-chloro-L-alaninate

Basic Information

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CAS Number

18635-38-6

Molecular Formula

C6H10ClNO3

Molecular Weight

179.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

74-76°C

SMILES

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CC(=O)NC(CCl)C(=O)OC

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

LogP

-0.09710000000000019

Topological Polar Surface Area

55.400000000000006 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

160

Synonyms & References

English

methyl 2-acetamido-3-chloropropanoate
(+/-)-Methyl 2-(Acetylamino)-3-chloropropionate
18635-38-6
methyl 2-acetamido-3-chloro-l-propionate
NSC146378
Methyl 2-(acetylamino)-3-chloropropionate
NSC 146378
NRR48EMO38
AKOS006292649
L-N-Acetyl-beta-chloroalanine methyl ester
MFCD04039377
NS00077789
Q27285021
(S)-methyl 2-(acetylamino)-3-chloropropionate; UNII-30BZB72T7X; 30BZB72T7X; l-Alanine, N-acetyl-3-chloro-, methyl ester
EN300-91511
Methyl 2-acetylamino-3-chloropropionate (Ac-DL-Ala(Cl)-OMe)
methyl 2-acetamido-3-chloropropanoate; (+/-)-Methyl 2-(Acetylamino)-3-chloropropionate; N-Acetyl-3-chloro-DL-alanine methyl ester
EC 442-860-3
40026-27-5
DTXSID601335105
NSC-146378
NSC337384
D,L-N-Acetyl-?-chloroalanine Methyl Ester
DL-N-ACETYL-.BETA.-CHLOROALANINE METHYL ESTER
N-Acetyl-3-chloroalanine methyl ester
DL-N-Acetyl--chloroalanine methyl ester; NSC 146378
D,L-N-Acetyl- beta -chloroalanine Methyl Ester
DL-N-Acetyl-beta-chloroalanine methyl ester
DL-N-Acetyl-beta-chloroalanine methyl ester; NSC 146378
NSC-337384
( inverted exclamation markA)-Methyl 2-(acetylamino)-3-chloropropionate

MDL Number

MFCD04039377

Customs Code

2924199090

FAQ

What are the physical and chemical properties of Methyl N-acetyl-3-chloro-L-alaninate (CAS: 18635-38-6)?

Methyl N-acetyl-3-chloro-L-alaninate is a white crystalline solid with a high melting point. It has a molecular weight of approximately 239.65 g/mol and is slightly soluble in water. This compound is chemically stable under normal conditions but may react with strong bases. It is often used in pharmaceuticals and research applications due to its specific reactivity.

How is Methyl N-acetyl-3-chloro-L-alaninate (CAS: 18635-38-6) typically synthesized?

Methyl N-acetyl-3-chloro-L-alaninate is typically synthesized through a multi-step process involving acetylation, chlorination, and esterification. The reaction usually requires specific catalysts and is carried out under controlled conditions to achieve high selectivity and yield. This compound is often prepared in a laboratory setting using standard organic synthesis techniques.

What industries use Methyl N-acetyl-3-chloro-L-alaninate (CAS: 18635-38-6)?

Methyl N-acetyl-3-chloro-L-alaninate is primarily used in the pharmaceutical industry for the development of novel drugs. It is also utilized in the polymer industry for modifying polymer properties and in the sensor industry for its reactivity. Additionally, this compound has applications in semiconductor manufacturing as a precursor in certain processes.

What precautions should be taken when handling Methyl N-acetyl-3-chloro-L-alaninate (CAS: 18635-38-6)?

When handling Methyl N-acetyl-3-chloro-L-alaninate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up using appropriate absorbents, and the area should be decontaminated immediately. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.