4385-62-0

Basic information

• Product Name: 4-(2-Pyridyl)benzoic acid
• Synonyms: RARECHEM AL BE 0861;4-(PYRIDIN-2-YL)BENZOIC ACID;4-(2-PYRIDYL)BENZOIC ACID;4-(2-PYRIDINYL)BENZOIC ACID;AKOS BAR-0485;4-Pyridin-2-yl-benzoicacid95%;4-(3-Fluoropyridin-2-yl)benzoic acid;4-(4-Chloropyridin-2-yl)benoic acid
• CAS NO: 4385-62-0
• Molecular Formula: C₁₂H₉NO₂
• Molecular Weight: 199.21
• Product Categories: pharmacetical;Aromatics;Heterocycles;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals
• Mol File: 4385-62-0.mol
• Article Data: 33

Chemical Properties

• Melting Point: 236.0 to 240.0 °C
• Boiling Point: 388.137 °C at 760 mmHg
• Flash Point: 188.539 °C
• Appearance: /
• Density: 1.241 g/cm³
• Vapor Pressure: 1.02E-06mmHg at 25°C
• Storage Temp.: 2-8°C
• Solubility: DMSO (Slightly), Methanol (Slightly, Heated)
• PKA: 3.17±0.10(Predicted)
• CAS DataBase Reference: 4-(2-Pyridyl)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-Pyridyl)benzoic acid(4385-62-0)
• EPA Substance Registry System: 4-(2-Pyridyl)benzoic acid(4385-62-0)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 4385-62-0(Hazardous Substances Data)

Usage

Description

4-(2-Pyridyl)benzoic acid, also known as Pyridinyl Benzoic Acid, is a chemical compound derived from the reaction of atazanavir (A790051), an antiretroviral medication used to treat HIV. It is characterized by its unique molecular structure, which consists of a pyridine ring attached to a benzoic acid backbone. 4-(2-Pyridyl)benzoic acid exhibits various properties that make it useful in different applications across various industries.

Uses

Used in Pharmaceutical Industry:
4-(2-Pyridyl)benzoic acid is used as a reactive metabolite for Atazanavir (A790051), an antiretroviral drug. It plays a crucial role in the metabolism and pharmacokinetics of the drug, contributing to its overall efficacy and safety profile in the treatment of HIV.
Used in Chemical Synthesis:
4-(2-Pyridyl)benzoic acid serves as an important intermediate in the synthesis of various chemical compounds, particularly those with potential applications in the pharmaceutical, agrochemical, and materials science industries. Its unique structure allows for further functionalization and modification, enabling the development of novel molecules with specific properties and functions.
Used in Quality Control and Impurity Profiling:
As an impurity of Atazanavir, 4-(2-Pyridyl)benzoic acid is essential in the quality control and impurity profiling of the drug. It helps ensure the safety, efficacy, and purity of the final pharmaceutical product by monitoring and controlling the levels of this specific impurity during the manufacturing process.

InChI:InChI=1/C12H9NO2/c14-12(15)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H,(H,14,15)/p-1

Upstream product

• 110-86-1 pyridine 
• 150-13-0 4-amino-benzoic acid 
• 4467-06-5 2-(4-methylphenyl)pyridine 
• 32111-34-5 4-(pyridine-2-yl)benzonitrile 
• 109-04-6 2-bromo-pyridine 
• 14047-29-1 4-carboxyphenylboronic acid 
• 127406-56-8 4-(2'-pyridyl)benzaldehyde 
• 87199-17-5 4-formylphenylboronic acid, 
• 18471-73-3 4-(pyridin-2-yl)aniline 
• 98061-21-3 4-pyridin-2-yl-benzoic acid methyl ester 
• 106-38-7 para-bromotoluene 
• 5720-05-8 4-methylphenylboronic acid 
• 40881-45-6 4-tolylboronic dimethyl ester 
• 5029-67-4 2-iodopyridine 

Downstream Products

• 98061-21-3 4-pyridin-2-yl-benzoic acid methyl ester 
• 190850-37-4 4-(pyridin-2-yl)benzoyl chloride 
• 717116-23-9 N-(4-tert-butyl-phenyl)-4-pyridin-2-yl-benzamide 
• 223119-63-9 ethyl 2-phenoxy-3-[4-[2-[(4-(pyridin-2-yl)benzoyl)amino]ethoxy]phenyl]propionate 
• 223125-70-0 ethyl 2-(4-methylphenoxy)-3-[4-[2-[(4-(pyridin-2-yl)benzoyl)amino]ethoxy]phenyl]propionate 
• 710327-07-4 ethyl (S)-2-(4-methylphenoxy)-3-[4-[2-[(4-(pyridin-2-yl)benzoyl)amino]ethoxy]phenyl]propionate 
• 223125-74-4 ethyl 2-(4-fluorophenoxy)-3-[4-[2-[(4-(pyridin-2-yl)benzoyl)amino]ethoxy]phenyl]propionate 
• 223125-76-6 ethyl 2-(4-chlorophenoxy)-3-[4-[2-[(4-(pyridin-2-yl)benzoyl)amino]ethoxy]phenyl]propionate 
• 223119-79-7 ethyl 2-(4-isopropylphenoxy)-3-[4-[2-[(4-(pyridin-2-yl)benzoyl)amino]ethoxy]phenyl]propionate 
• 710327-19-8 ethyl (S)-2-(4-isopropylphenoxy)-3-[4-[2-[(4-(pyridin-2-yl)benzoyl)amino]ethoxy]phenyl]propionate 
• 710327-14-3 ethyl (R)-2-(4-isopropylphenoxy)-3-[4-[2-[(4-(pyridin-2-yl)benzoyl)amino]ethoxy]phenyl]propionate 
• 710327-37-0 ethyl (S)-2-(4-chlorophenoxy)-3-[4-[2-[(4-(pyridin-2-yl)benzoyl)amino]ethoxy]phenyl]propionate 
• 223125-72-2 ethyl 2-(4-tert-butylphenoxy)-3-[4-[2-[(4-(pyridin-2-yl)benzoyl)amino]ethoxy]phenyl]propionate 
• 710327-30-3 ethyl (S)-2-(4-tert-butylphenoxy)-3-[4-[2-[(4-(pyridin-2-yl)benzoyl)amino]ethoxy]phenyl]propionate 

Relevant articles and documents

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