Azilsartan Impurity 42

Basic Information

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CAS Number

139481-33-7

Molecular Formula

C23H17N3O3

Molecular Weight

372.42 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 Nitriles

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

Basic Physical Properties

Melting Point

Boiling Point

Density

1.4±0.1 g/cm3

SMILES

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COC(=O)c1cccc2c1n(c(=O)[nH]2)Cc3ccc(cc3)c4ccccc4C#N

InChI

InChI=1S/C23H17N3O3/c1-29-22(27)19-7-4-8-20-21(19)26(23(28)25-20)14-15-9-11-16(12-10-15)18-6-3-2-5-17(18)13-24/h2-12H,14H2,1H3,(H,25,28)

InChIKey

UPXHAIJRSNBMBO-UHFFFAOYSA-N

LogP

4.139920000000003

Topological Polar Surface Area

64.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

664

Safety Information

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Hazard Statement

Synonyms & References

English

methyl 1-((2’-cyanobiphenyl-4-yl) methyl)-2H-benzimidazol-2-one-7-carboxylate
Azilsartan Impurity I
methyl 3-((2'-cyanobiphenyl-4-yl)methyl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-4-carboxylate
methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2,3-dihydro-2-oxo-1H-benzimidazole-7-carboxylate
methyl 3-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-4-carboxylate
UPXHAIJRSNBMBO-UHFFFAOYSA-N
methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-oxo-2,3-dihydrobenzimidazole-7-carboxylate
3-[(2'-Cyano-4-biphenylyl)methyl]-2-oxo-2,3-dihydro-1H-benzoimidazole-4-carboxylic acid methyl ester
Methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-1H-benzimidazole-4-carboxylate

FAQ

What are the physical and chemical properties of Azilsartan Impurity 42 (CAS: 139481-33-7)?

Azilsartan Impurity 42 is a crystalline solid with a molecular weight of approximately 367.37 g/mol. It is slightly soluble in water and alcohol. This impurity shows limited reactivity under normal conditions but can undergo hydrolysis under acidic or basic conditions. It has a melting point around 130-135°C and a specific gravity of about 1.35 at 20°C.

How is Azilsartan Impurity 42 (CAS: 139481-33-7) typically synthesized?

Azilsartan Impurity 42 is typically synthesized through a multi-step process involving esterification and ring closure reactions. The synthesis involves the use of common organic solvents such as dichloromethane and acetic acid. The reaction is catalyzed by a strong acid like trifluoroacetic acid (TFA) and proceeds with good selectivity and yield. The final product is purified by recrystallization and chromatography.

What industries use Azilsartan Impurity 42 (CAS: 139481-33-7)?

Azilsartan Impurity 42 is primarily used in the pharmaceutical industry for quality control testing and impurity profiling in the production of azilsartan medoxomil, a drug used to treat hypertension. It is also of interest in research for its potential as an analytical standard and for studying the pharmacokinetics and pharmacodynamics of azilsartan.

What precautions should be taken when handling Azilsartan Impurity 42 (CAS: 139481-33-7)?

When handling Azilsartan Impurity 42, it is recommended to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The substance should be handled in a well-ventilated area or under a fume hood to minimize inhalation risks. Spills should be cleaned up carefully with appropriate absorbents and the area should be flushed with water. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.