Methyl 3-methyl-L-valinate hydrochloride (1:1)

Basic Information

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CAS Number

63038-27-7

Molecular Formula

C7H16ClNO2

Molecular Weight

181.66 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

Basic Physical Properties

Melting Point

183-186 °C

Boiling Point

206.8 °C at 760 mmHg

Flash Point

78.9 °C

Refractive Index

16.5 ° (C=1, MeOH)

SMILES

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

InChI

InChI=1S/C7H15NO2.ClH/c1-7(2,3)5(8)6(9)10-4;/h5H,8H2,1-4H3;1H/t5-;/m1./s1

InChIKey

HRTQWUHFSXVRPY-NUBCRITNSA-N

LogP

0.9545999999999998

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

126

Synonyms & References

English

AM20100555
HRTQWUHFSXVRPY-NUBCRITNSA-N
DTXSID70584463
L-Valine, 3-methyl-, methyl ester, hydrochloride (1:1)
methyl (2S)-2-amino-3,3-dimethylbutanoate hydrochloride
H-Tle-OMe.HCl
AS-18459
EN300-317066
methyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride
HY-I0172
(S)-methyl 2-amino-3,3-dimethylbutanoate hydrochloride
L-TERT-LEUCINE METHYL ESTER HCL
(2S)-amino-3,3-dimethyl-butyric acid methyl ester HCl
L-tert-Leucine methyl ester hydrochloride, >=99.0% (AT)
MFCD00040604
3-methyl-L-valine methyl ester hydrochloride
L-tert-leucine methyl-ester hydrochloride
Methyl 3-methyl-L-valinate--hydrogen chloride (1/1)
SCHEMBL737492
UNII-LIZ1L06TSF
(2S)-1-methoxy-3,3-dimethyl-1-oxobutan-2-aminium chloride
(S)-Methyl-2-amino-3,3-dimethylbutanoate hydrochloride
LIZ1L06TSF
methyl L-tert-leucinate hydrochloride
Methyl (S)-2-Amino-3,3-dimethylbutyrate Hydrochloride
PD196170
A834169
AKOS015892696
L0188
methyl 3-methyl-L-valinate hydrochloride
L-tert-Leucine methyl ester hydrochloride

MDL Number

MFCD00040604

Customs Code

2922499990

FAQ

What is Methyl 3-methyl-L-valinate hydrochloride (1:1) (CAS: 63038-27-7)?

Methyl 3-methyl-L-valinate hydrochloride (1:1) is a chemical compound with the CAS number 63038-27-7. It is a derivative of L-valine, an essential amino acid, and is commonly used in pharmaceutical and research applications. The compound is a white to off-white solid with a slightly bitter taste and is soluble in water and some organic solvents. It is often used as an intermediate in the synthesis of other compounds or as a chiral building block in organic chemistry.

What are the main uses of Methyl 3-methyl-L-valinate hydrochloride (1:1) (CAS: 63038-27-7)?

Methyl 3-methyl-L-valinate hydrochloride (1:1) is primarily used in pharmaceutical research for the development of chiral drugs and as a building block in the synthesis of various compounds. It also finds applications in the fragrance and flavor industry due to its chemical structure, and is used in biochemical studies to investigate enzyme activity and reaction mechanisms. Additionally, it may be utilized in the production of specialty chemicals and in academic research for structural analysis and functional group studies.

Is Methyl 3-methyl-L-valinate hydrochloride (1:1) (CAS: 63038-27-7) safe?

Methyl 3-methyl-L-valinate hydrochloride (1:1) is generally considered safe when handled properly. However, as with many chemical compounds, it should be treated with caution. It is advisable to wear protective gloves, goggles, and a lab coat when working with it. Avoid inhalation of dust and skin contact. The compound is not classified as hazardous under standard safety guidelines, but appropriate safety measures should still be followed to ensure safe handling and storage.

How should Methyl 3-methyl-L-valinate hydrochloride (1:1) (CAS: 63038-27-7) be stored?

Methyl 3-methyl-L-valinate hydrochloride (1:1) should be stored in a cool, dry, and dark place to maintain its stability and prevent degradation. It is recommended to keep it in a sealed container at a temperature below 25°C and away from moisture and light. Proper storage helps preserve its chemical integrity and prolongs its shelf life, making it suitable for use in research and pharmaceutical settings.