342417-00-9

Basic information

• Product Name: 6-CHLORO-4-O-TOLYL-NICOTINAMIDE
• Synonyms: 6-CHLORO-4-O-TOLYL-NICOTINAMIDE;3-PYRIDINECARBOXAMIDE, 6-CHLORO-4-(2-METHYLPHENYL)-
• CAS NO: 342417-00-9
• Molecular Formula: C₁₃H₁₁ClN₂O
• Molecular Weight: 246.69224
• Mol File: 342417-00-9.mol

Chemical Properties

• Melting Point: 45.3-47.3 °C
• Boiling Point: 385.8±42.0 °C(Predicted)
• Appearance: /
• Density: 1.265±0.06 g/cm3(Predicted)
• PKA: 14.38±0.50(Predicted)
• CAS DataBase Reference: 6-CHLORO-4-O-TOLYL-NICOTINAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-CHLORO-4-O-TOLYL-NICOTINAMIDE(342417-00-9)
• EPA Substance Registry System: 6-CHLORO-4-O-TOLYL-NICOTINAMIDE(342417-00-9)

Safety Data

• Hazardous Substances Data: 342417-00-9(Hazardous Substances Data)

Usage

Main Properties

Organic compound
Nicotinamide molecule with a 6-chloro-4-tolyl group attached
Used as a precursor in the synthesis of drugs and pharmaceutical compounds
Potential applications in the treatment of inflammation, cancer, as an antiviral, and antimicrobial agent

Specific Content

Organic compound containing a nicotinamide molecule with a 6-chloro-4-tolyl group
Commonly used in the pharmaceutical industry as a precursor in drug synthesis
Potential applications in the treatment of inflammation, cancer, as an antiviral, and antimicrobial agent
Versatile compound with potential applications in medical and pharmaceutical fields

Upstream product

• 5326-23-8 6-Chloro-3-pyridinecarboxylic acid 
• 33872-80-9 o-tolyl magnesium chloride 
• 342416-99-3 6-chloro-4-o-tolyl-nicotinic acid 

Downstream Products

• 342417-01-0 4-(2-methylphenyl)-6-(4-methylpiperazinyl)-3-pyridinecarboxamide 
• 290297-24-4 6-(4-methyl-piperazin-1-yl)-4-o-tolylpyridin-3-yl-amine 
• 1431216-61-3 1-(5-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-4-(o-tolyl)pyridin-2-yl)-4-methylpiperazine 1,4-dioxide 
• 1431216-59-9 4-(5-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-4-(o-tolyl)pyridin-2-yl)-1-methyl-1-((phosphonooxy)methyl)piperazin-1-ium 
• 1431216-68-0 4-(5-{2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamido}-4-(o-tolyl)pyridin-2-yl)-1-methyl-1-{[bis(tert-butoxy)phosphoryl]oxymethyl}piperazin-1-ium 
• 342417-02-1 [6-(4-methylpiperazin-1-yl)-4-(o-tolyl)pyridin-3-yl]carbamic acid methyl ester 
• 290297-26-6 netupitant 
• 290297-25-5 methyl-[6-(4-methyl-piperazin-1-yl)-4-o-tolyl-pyridin-3-yl]-amine 

Relevant articles and documents

4-(5-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-4-(o-tolyl)pyridin-2-yl)-1-methyl-1-((phosphonooxy)methyl)piperazin-1-ium as a neurokinin receptor modulator

Compounds and methods for the prevention and/or treatment of diseases which are pathophysiologically mediated by the neurokinin (NK1) receptor, based on 4-(5-(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-4-(o-tolyl)3yridine-2-yl)-1-methyl-1-((phosphonooxy)methyl)piperazin-1-ium and pharmaceutically acceptable salts thereof.

SUBSTITUTED 4-PHENYL-PYRIDINES FOR TREATMENT OF NK-1 RECEPTOR RELATED DISEASES

PROBLEM TO BE SOLVED: To provide new derivatives of 4-phenyl-pyridine compounds that are effective NK1 receptor antagonists, with enhanced physicochemical and/or biological properties, and methods for producing the 4-phenyl-pyridine compounds. SOLUTION: Disclosed are compounds, compositions and methods for the prevention and/or treatment of diseases which are pathophysiologically mediated by the neurokinin (NKj) receptor. The compounds have the general formula (I). COPYRIGHT: (C)2015,JPOandINPIT

Substituted 4-phenyl pyridines having anti-emetic effect

Disclosed are compounds, compositions and methods for the prevention and/or treatment of diseases which are pathophysiologically mediated by the neurokinin (NK1) receptor. The compounds have the general formula (I):

Efficient synthesis of novel NK1 receptor antagonists: Selective 1,4-addition of Grignard reagents to 6-chloronicotinic acid derivatives

A new efficient synthesis of two novel classes of NK1 receptor antagonists, among them befetupitant and netupitant, starting from 6-chloronicotinic acid is described. The introduction of the o-tolyl substituent at C(4) of the pyridine ring was achieved by a one-pot selective 1,4-Grignard addition/oxidation sequence to 6-chloronicotinic acid or a derivative of it. The scope of this addition/oxidation sequence was examined. It was also shown that the carboxylic function can be converted to a methyl amino group by a Hofmann rearrangement followed by reduction. Furthermore, a new high-yielding synthesis of 2-(3,5-bistrifluoromethylphenyl)-2-methyl propionic acid based on the carbonylation of the tertiary alcohol obtained by Grignard addition of 3,5-bis(trifluoromethyl)bromobenzene to acetone was established.