Methyl 3-chloroalaninate hydrochloride (1:1)

Basic Information

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CAS Number

33646-31-0

Molecular Formula

C4H9Cl2NO2

Molecular Weight

174.03 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 Chemical Raw Materials Organic Chemicals Amines

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

124-126°C

SMILES

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COC(=O)C(CCl)N.Cl

InChI

InChI=1S/C4H8ClNO2.ClH/c1-8-4(7)3(6)2-5;/h3H,2,6H2,1H3;1H

InChIKey

POPBCSXDEXRDSX-UHFFFAOYSA-N

LogP

0.14729999999999993

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

86.1

Synonyms & References

English

L-
SY104840
D,L-beta-Chloroalanine methyl ester hydrochloride
J-019284
AS-67298
3-Chloro-D-Ala-OMe hydrochloride
POPBCSXDEXRDSX-UHFFFAOYSA-N
3-Chloroalanine methyl ester hydrochloride
D,L-?-Chloroalanine Methyl Ester Hydrochloride
FT-0639121
NSC117383
FT-0664546
EN300-216137
NSC-117383
(S)-Methyl 2-amino-3-chloropropionate hydrochloride
NSC170313
DL-3-Chloroalanine methyl ester hydrochloride
D,L- beta -Chloroalanine Methyl Ester Hydrochloride
(R)-Methyl 2-amino-3-chloropropanoate hydrochloride,
O11861
HY-W098273
Methyl 2-amino-3-chloropropanoate HCl
33646-31-0
METHYL 2-AMINO-3-CHLOROPROPANOATE HYDROCHLORIDE
Alanine, 3-chloro-, methyl ester, hydrochloride (1:1)
A-Chloro-L-alanine methyl ester hydrochloride
AKOS006273201
Alanine, 3-chloro-, methyl ester, hydrochloride
H-beta-Chloro-Ala-OMe . HCl
D,L-b-Chloroalanine Methyl Ester Hydrochloride

MDL Number

MFCD00038914

Customs Code

2922499990

FAQ

What are the physical and chemical properties of Methyl 3-chloroalaninate hydrochloride (CAS: 33646-31-0)?

Methyl 3-chloroalaninate hydrochloride (CAS: 33646-31-0) is a white crystalline compound with a molecular weight of approximately 214.58 g/mol. It has good water solubility and is slightly soluble in organic solvents. This compound reacts readily with bases and nucleophiles. It is stable under normal conditions but care should be taken during synthesis and handling to avoid strong acids or bases.

How is Methyl 3-chloroalaninate hydrochloride (CAS: 33646-31-0) typically synthesized?

Methyl 3-chloroalaninate hydrochloride (CAS: 33646-31-0) is typically synthesized by the reaction of methylamine and 3-chloroacryloyl chloride. The synthesis involves the use of a catalytic amount of a strong acid like hydrochloric acid to facilitate the reaction. The yield is generally high, and the product is purified by recrystallization from water or a suitable solvent.

What industries use Methyl 3-chloroalaninate hydrochloride (CAS: 33646-31-0)?

Methyl 3-chloroalaninate hydrochloride (CAS: 33646-31-0) is primarily used in the pharmaceutical and chemical industries. It serves as a precursor in the synthesis of various drugs and is also used in the development of polymers and other materials. Its reactivity makes it valuable in the chemical industry for creating novel compounds.

What precautions should be taken when handling Methyl 3-chloroalaninate hydrochloride (CAS: 33646-31-0)?

When handling Methyl 3-chloroalaninate hydrochloride (CAS: 33646-31-0), it is important to follow safety guidelines. Wear appropriate Personal Protective Equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood. Avoid contact with skin and eyes. Spills should be cleaned up immediately with proper absorbent materials. Always refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.