Methyl L-threoninate hydrochloride (1:1)

Basic Information

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CAS Number

39994-75-7

Molecular Formula

C5H12ClNO3

Molecular Weight

169.61 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

64 °C

Density

1.3200

Water Solubility

Soluble in water.

SMILES

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CC(C(C(=O)OC)N)O.Cl

InChI

InChI=1S/C5H11NO3.ClH/c1-3(7)4(6)5(8)9-2;/h3-4,7H,6H2,1-2H3;1H/t3-,4+;/m1./s1

InChIKey

OZSJLLVVZFTDEY-HJXLNUONSA-N

LogP

-0.7107000000000001

Topological Polar Surface Area

72.55 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

104

Safety Information

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Sensitiveness

Moisture Sensitive & Hygroscopic

Synonyms & References

English

L-Threoninemethylesterhydrochloride
L-Threonine methyl ester HCl
EN300-371775
39994-75-7
THREONINE METHYL ESTER HYDROCHLORIDE
threonine methyl ester HCl
[(2S,3R)-3-Hydroxy-1-methoxy-1-oxobutan-2-yl]azanium;chloride
EINECS 254-738-5
CS-W008086
Q-102761
Methyl L-threoninate hydrochloride
AKOS015924193
OZSJLLVVZFTDEY-HJXLNUONSA-N
A824841
methyl (2S,3R)-2-amino-3-hydroxybutanoate hydrochloride
DS-15147
(2S,3R)-2-amino-3-hydroxy-butyric acid methyl ester hydrochloride
L-Threonine methyl ester, HCl
AM82244
M02985
CHEMBL1221904
L-Threonine methyl ester hydrochloride
H-Thr-OMe.HCl
L-Threonine, methyl ester, hydrochloride
HY-W008086
(2S,3R)-methyl 2-amino-3-hydroxybutanoate hydrochloride
threonine methyl ester hydrochloride salt
H-Thr-OMe hydrochloride
DTXSID20193049
L-threonine methyl ester, hydrochloride
SCHEMBL156159

MDL Number

MFCD00037677

Customs Code

29225000

FAQ

What are the physical and chemical properties of Methyl L-threoninate hydrochloride (CAS: 39994-75-7)?

Methyl L-threoninate hydrochloride (CAS: 39994-75-7) is a white crystalline solid with a molecular weight of approximately 314.7 g/mol. It is slightly soluble in water and ethanol. Chemically, it is a salt that is relatively stable under normal conditions but reacts with bases to release hydrochloric acid. It has low reactivity in most organic solvents.

How is Methyl L-threoninate hydrochloride (CAS: 39994-75-7) typically synthesized?

Methyl L-threoninate hydrochloride is typically synthesized by reacting L-threonine with methyl bromide in the presence of a base, followed by hydrochloric acid treatment to form the hydrochloride salt. The reaction is selective and yields the desired product with high purity.

What industries use Methyl L-threoninate hydrochloride (CAS: 39994-75-7)?

Methyl L-threoninate hydrochloride (CAS: 39994-75-7) is primarily used in the pharmaceutical industry for its potential as an intermediate in drug synthesis. It also finds applications in the chemical and biochemical research sectors, particularly in studies related to threonine metabolism and as a chiral auxiliary.

What precautions should be taken when handling Methyl L-threoninate hydrochloride (CAS: 39994-75-7)?

When handling Methyl L-threoninate hydrochloride (CAS: 39994-75-7), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be done in a well-ventilated area or fume hood to avoid inhalation. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always consult the Material Safety Data Sheet (MSDS/SDS) for detailed safety information.