10177-12-5

Basic information

• Product Name: 5-PHENYLNICOTINIC ACID
• Synonyms: 5-PHENYLPYRIDINE-3-CARBOXYLIC ACID;5-PHENYLNICOTINIC ACID;AKOS BAR-0484;5-Phenylnicotinic acid, 95+%;3-Phenyl-5-pyridinecarboxylic acid;5-Phenylpyridine-3-carboxylic acid, 3-Carboxy-5-phenylpyridine;5-Phenyl-3-pyridinecarboxylic acid
• CAS NO: 10177-12-5
• Molecular Formula: C₁₂H₉NO₂
• Molecular Weight: 199.21
• Mol File: 10177-12-5.mol
• Article Data: 11

Chemical Properties

• Melting Point: 260 °C
• Boiling Point: 420.1 °C at 760 mmHg
• Flash Point: 207.8 °C
• Appearance: /
• Density: 1.241 g/cm³
• Vapor Pressure: 8.31E-08mmHg at 25°C
• Refractive Index: 1.613
• Storage Temp.: Room temperature.
• CAS DataBase Reference: 5-PHENYLNICOTINIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5-PHENYLNICOTINIC ACID(10177-12-5)
• EPA Substance Registry System: 5-PHENYLNICOTINIC ACID(10177-12-5)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22-36
• Safety Statements: 26
• Hazardous Substances Data: 10177-12-5(Hazardous Substances Data)

Usage

Description

5-Phenylnicotinic acid, also known as 5-pyridinecarboxylic acid, is a chemical compound with the molecular formula C12H9NO2. It is a derivative of nicotinic acid, a B vitamin essential for various biological processes. 5-PHENYLNICOTINIC ACID is characterized by its potential anti-inflammatory and antioxidant properties, making it a promising candidate for the development of new therapeutic agents. It is also used as a building block in the production of agrochemicals and dyes, and serves as an intermediate in organic synthesis.

Uses

Used in Pharmaceutical Industry:
5-Phenylnicotinic acid is used as a starting material for the synthesis of various drugs and pharmaceutical compounds. Its unique structure and properties make it a valuable component in the development of new medications.
Used in Agrochemical Production:
In the agrochemical industry, 5-Phenylnicotinic acid is utilized as a building block for the production of various agrochemicals, contributing to the development of effective and safe products for agricultural use.
Used in Dye Manufacturing:
5-PHENYLNICOTINIC ACID is also used in the manufacturing of dyes, where its chemical properties contribute to the creation of vibrant and stable colorants for various applications.
Used in Organic Synthesis:
5-Phenylnicotinic acid serves as an intermediate in organic synthesis, playing a crucial role in the preparation of complex organic molecules for research and development purposes.
Used in Research and Development:
In research settings, 5-Phenylnicotinic acid is studied for its potential applications in the development of new therapeutic agents, particularly due to its anti-inflammatory and antioxidant properties. This makes it a valuable tool for scientists exploring novel treatments and pharmaceutical compounds.

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

Upstream product

• 1254929-25-3 5-phenyl-3-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)pyridine 
• 20826-04-4 5-bromo-3-pyridinecarboxylic acid 
• 98-80-6 phenylboronic acid 
• 122-78-1 phenylacetaldehyde 
• 960-16-7 tributylphenylstannane 
• 10477-94-8 3-methyl-5-phenylpyridine 

Downstream Products

• 1033418-71-1 ethyl-5-phenylpyridin-3-yl carbamate 
• 1261785-72-1 C₁₂H₈ClNO 
• 116140-28-4 5-phenylnicotinic acid ethyl ester 
• 1397226-51-5 C₂₀H₁₇N₃O₂S 

Relevant articles and documents

An efficient and recoverable palladium organocatalyst for Suzuki reaction in aqueous media

Meso-tetrakis[4-(methoxycarbonyl)phenyl]porphyrinatopalladium(II) as a palladium organocatalyst was synthesized and then used in aqueous media as a heterogeneous organocatalyst in Suzuki reaction. The prepared organocatalyst was characterized using UV–visible, infrared and NMR spectroscopies. It was found to be an efficient catalyst for Suzuki coupling reaction between phenylboronic acid and a broad range of aryl halides. Mild reaction conditions, water solvent as green media, and easy catalyst separation and reusability are the advantages of the presented method.

Meso -Tetrakis[4-(methoxycarbonyl)phenyl]porphyrinatopalladium(ii) supported on graphene oxide nanosheets (Pd(ii)-TMCPP-GO): Synthesis and catalytic activity

In this study, meso-tetrakis[4-(methoxycarbonyl)phenyl]porphynatopalladium(ii) as a macrocyclic palladium complex was covalently grafted to the surface of graphene oxide (Pd-TMCPP-GO). The Pd-TMCPP-GO was characterized using microscopic and spectroscopic techniques for confirmation of functionalization. The prepared catalyst was checked in a Suzuki reaction. The catalytic system showed high catalytic activity in this reaction and the yields of the products were good to excellent. Also, the proposed catalyst was reusable for seven runs with no significant decrease in catalytic activity.

Discovery of benzoylsulfonohydrazides as potent inhibitors of the histone acetyltransferase KAT6A

A high-throughput screen for inhibitors of the histone acetyltransferase, KAT6A, led to identification of an aryl sulfonohydrazide derivative (CTX-0124143) that inhibited KAT6A with an IC50 of 1.0 μM. Elaboration of the structure-activity relationship and medicinal chemistry optimization led to the discovery of WM-8014 (97), a highly potent inhibitor of KAT6A (IC50 = 0.008 μM). WM-8014 competes with acetyl-CoA (Ac-CoA), and X-ray crystallographic analysis demonstrated binding to the Ac-CoA binding site. Through inhibition of KAT6A activity, WM-8014 induces cellular senescence and represents a unique pharmacological tool.