Valsartan Methyl Ester

Basic Information

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CAS Number

137863-17-3

Molecular Formula

C25H31N5O3

Molecular Weight

449.5 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

129-130 ºC

Solubility

Insuluble (1.7E-3 g/L) (25 ºC),

SMILES

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CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)OC

InChI

InChI=1S/C25H31N5O3/c1-5-6-11-22(31)30(23(17(2)3)25(32)33-4)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)24-26-28-29-27-24/h7-10,12-15,17,23H,5-6,11,16H2,1-4H3,(H,26,27,28,29)/t23-/m0/s1

InChIKey

UJTNRXYTECQKFO-QHCPKHFHSA-N

Complexity

623

Synonyms & References

English

Methyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate
AKOS015899737
(S)-Methyl 2-(N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate
SCHEMBL2251
METHYL (2S)-3-METHYL-2-(N-{[2'-(2H-1,2,3,4-TETRAZOL-5-YL)-[1,1'-BIPHENYL]-4-YL]METHYL}PENTANAMIDO)BUTANOATE
N-[2 inverted exclamation mark -(1H-tetrazol-5-yl)biphenyl-4-yl methyl]-N-Valeryl-(L)-Valine methyl ester
(S)-3-Methyl-2-{pentanoyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid methyl ester
(S)-Methyl2-(N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate
Valsartan impurity E
AS-74538
SCHEMBL21619424
Valsartan Methyl Ester; Valsartan Related Compound E (USP); N-Valeryl-N-{[2'-(1H-tetrazole-5-yl)biphenyl-4-yl]methyl}-L-valine methyl ester; Valsartan Related Compound E
L-Valine,N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-,methylester
L-Valine, N-(1-oxopentyl)-N-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, methyl ester
AKOS037647709
PD128572
Q27268035
CHEMBL326349
137863-17-3
valsartan methyl ester
N-valeryl-N-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]-(L)-valine methyl ester
BDBM50282365
Methyl N-pentanoyl-N-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-L-valinate
UNII-7BZQ418Z0J
A886382
N-[2 inverted exclamation mark -(1H-tetrazol-5-yl)biphenyl-4-yl methyl]-N-Valeryl-(L)-Valine methyl ester
D92869
Valsartan impurity E [USP-MC]
UJTNRXYTECQKFO-QHCPKHFHSA-N
methyl N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl}-L-valinate
N-[2-(1H-tetrazol-5-yl)biphenyl-4-yl methyl]-N-Valeryl-(L)-Valine methyl ester

MDL Number

MFCD17215380

FAQ

What are the physical and chemical properties of Valsartan Methyl Ester (CAS: 137863-17-3)?

Valsartan Methyl Ester (CAS: 137863-17-3) is a white to off-white crystalline powder with a molecular weight of approximately 332.42 g/mol. It has a solubility of about 2.6 mg/mL in water and is practically insoluble in most organic solvents. It is moderately reactive, undergoing hydrolysis under basic conditions. It is stable in acidic media.

How is Valsartan Methyl Ester (CAS: 137863-17-3) typically synthesized?

Valsartan Methyl Ester is typically synthesized by the esterification of valsartan with methanol in the presence of an acid catalyst, such as sulfuric acid. The reaction is conducted under mild conditions to achieve a high yield of approximately 90%. The product is purified by recrystallization from ethanol.

What industries use Valsartan Methyl Ester (CAS: 137863-17-3)?

Valsartan Methyl Ester (CAS: 137863-17-3) is primarily used in the pharmaceutical industry for its role as an intermediate in the synthesis of valsartan, a popular angiotensin II receptor antagonist used to treat hypertension and heart failure. It is also used in the research and development of other medicinal compounds.

What precautions should be taken when handling Valsartan Methyl Ester (CAS: 137863-17-3)?

When handling Valsartan Methyl Ester (CAS: 137863-17-3), it is important to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. In case of spills, use appropriate spill response materials and handle according to the Safety Data Sheet (SDS).