Methyl D-valinate hydrochloride (1:1)

Basic Information

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CAS Number

21685-47-2

Molecular Formula

C6H14ClNO2

Molecular Weight

131.18 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

~170 °C (dec.)

SMILES

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

InChI

InChI=1S/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/t5-;/m1./s1

InChIKey

KUGLDBMQKZTXPW-NUBCRITNSA-N

LogP

0.14269999999999983

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

101

Synonyms & References

English

H-D-Val-OMe hydrochloride
Methyl D-valinate HCl
NS00080584
V0094
D-Valine methyl ester, hydrochloride
21685-47-2
SCHEMBL203200
7146-15-8
AC-8672
D-Valine methyl ester hydrochloride, >=99.0% (AT)
J-300306
EINECS 230-454-7
D-Valine methyl ester, HCl
D-Valine methyl ester hydrochloride
H-D-VAL-OME HCL
H-D-Val-OMe.HCl
KUGLDBMQKZTXPW-NUBCRITNSA-N
CS-0012693
D-Valine methyl ester HCl
(D)-valine methylester hydrochloride
H-D-Val-OMe
Q-101858
NSC 22921
I10617
(R)-Methyl 2-amino-3-methylbutanoate hydrochloride
AM20100674
O-Methyl-D-valine (hydrochloride)
(2R)-2-amino-3-methylbutanoic acid methyl ester hydrochloride
HY-79708A
(D)-valine methyl ester hydrochloride
EN300-716335

MDL Number

MFCD00136455

FAQ

What are the physical and chemical properties of Methyl D-valinate hydrochloride (CAS: 21685-47-2)?

Methyl D-valinate hydrochloride is a white crystalline solid with a molecular weight of approximately 258.26 g/mol. It is moderately soluble in water and ethanol. Chemically, it is relatively stable but reacts with strong bases to form the corresponding free base. It has a pKa of about 12. The compound has good solubility in organic solvents like ethyl acetate and acetone.

How is Methyl D-valinate hydrochloride (CAS: 21685-47-2) typically synthesized?

Methyl D-valinate hydrochloride is typically synthesized by reacting D-valine with methyl chloroformate in the presence of a catalytic amount of a tertiary amine like triethylamine. The reaction involves the formation of an ester followed by acidification with hydrochloric acid to form the hydrochloride salt. The yield is usually around 85-90%, and the reaction is known for its high selectivity.

What industries use Methyl D-valinate hydrochloride (CAS: 21685-47-2)?

Methyl D-valinate hydrochloride is used in several industries. It is primarily used in the pharmaceutical industry as a starting material for the synthesis of other compounds. It also finds applications in the polymer industry for the modification of polymer properties. Additionally, it is used in the food industry as a flavoring agent and in the sensor industry for the detection of specific compounds.

What precautions should be taken when handling Methyl D-valinate hydrochloride (CAS: 21685-47-2)?

When handling Methyl D-valinate hydrochloride, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. It should be stored in a well-ventilated area and handled in a fume hood to minimize exposure. In case of a spill, it should be cleaned up using appropriate absorbent materials. For more detailed safety information, refer to the Material Safety Data Sheet (MSDS/SDS).