115309-58-5

Basic information

• Product Name: 6-Chloro-N-tert-butylnicotinamide
• Synonyms: 6-CHLORO-N-TERT-BUTYLNICOTINAMIDE;N-TERT-BUTYL-6-CHLORO-NICOTINAMIDE;3-PYRUDUNECARBOXAMIDE-6-CHLORO-N-(1,1-DIMETHYL-ETHYL) PMT-BUTYLAMIDE 98%;3-Pyrudunecarboxamide-6-chloro-N-(1,1-dimethylethyl)-pmt-butylamide;6-Chloro-N-(1,1-dimethylethyl)-3-pyridinecarboxamide;N-t-Butyl 2-chloro-5-pyridinecarboxamide;N-t-Butyl 6-chloronicotinamide
• CAS NO: 115309-58-5
• Molecular Formula: C₁₀H₁₃ClN₂O
• Molecular Weight: 212.68
• Mol File: 115309-58-5.mol
• Article Data: 8

Chemical Properties

• Melting Point: 106.0-106.8 °C
• Boiling Point: 359 °C
• Flash Point: 171 °C
• Appearance: /
• Density: 1.152
• Vapor Pressure: 2.41E-05mmHg at 25°C
• Refractive Index: 1.526
• Storage Temp.: Inert atmosphere,Room Temperature
• CAS DataBase Reference: 6-Chloro-N-tert-butylnicotinamide(CAS DataBase Reference)
• NIST Chemistry Reference: 6-Chloro-N-tert-butylnicotinamide(115309-58-5)
• EPA Substance Registry System: 6-Chloro-N-tert-butylnicotinamide(115309-58-5)

Safety Data

• Hazardous Substances Data: 115309-58-5(Hazardous Substances Data)

Usage

General Description

6-Chloro-N-tert-butylnicotinamide is a chemical compound that belongs to the class of nicotinamide derivatives. It is characterized by the presence of a chlorine atom and a tert-butyl group attached to the nicotinamide core. 6-Chloro-N-tert-butylnicotinamide has potential applications in pharmaceutical research, particularly in the development of new drugs and medications. It may possess biological activities that make it useful for the treatment of various medical conditions. Its specific properties and potential uses in the pharmaceutical industry make it a subject of interest for further research and development.

InChI:InChI=1/C10H13ClN2O/c1-10(2,3)13-9(14)7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14)

Upstream product

• 5326-23-8 6-Chloro-3-pyridinecarboxylic acid 
• 75-64-9 tert-butylamine 
• 58757-38-3 6-Chloronicotinoyl chloride 

Downstream Products

• 1021464-00-5 6-chloro-N-(tert-butyl)-4-[(hydroxy)(4-chlorophenyl)methyl]pyridine-3-carboxamide 
• 342417-05-4 N-tert-butyl-6-(morpholin-4-yl)-4-(o-tolyl)nicotinamide 
• 342417-04-3 N-tert-butyl-6-chloro-4-(o-tolyl)nicotinamide 
• 290297-36-8 N-methyl-N-[6-(morpholin-4-yl)-4-(o-tolyl)pyridin-3-yl]amine 
• 342417-07-6 [6-(morpholin-4-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 
• 342417-02-1 [6-(4-methylpiperazin-1-yl)-4-(o-tolyl)pyridin-3-yl]carbamic acid methyl ester 
• 290296-68-3 2-(3,5-bis-trifluoromethyl-phenyl)-N-methyl-N-(6-morpholin-4-yl-4-o-tolyl-pyridin-3-yl)-isobutyramide 
• 881743-64-2 N-tert-butyl-6-(4-methylpiperazin-1-yl)-4-(o-tolyl)nicotinamide 
• 342417-01-0 4-(2-methylphenyl)-6-(4-methylpiperazinyl)-3-pyridinecarboxamide 
• 342417-06-5 4-(2-methylphenyl)-6-(4-morpholinyl)-3-pyridinecarboxamide 
• 733805-18-0 N-tert-butyl-6-chloro-4-(4-fluoro-2-methylphenyl)nicotinamide 

Relevant articles and documents

NK1 receptor-targeting antagonist and application of same to chemotherapy-induced nausea and vomiting

The invention relates to a NK1 receptor-targeting antagonist and application of the same to chemotherapy-induced nausea and vomiting, belonging to the technical field of adjuvant therapeutics for tumor chemotherapy. The invention provides a compound as shown in a formula I which is described in the specification, or a racemate, stereoisomer, tautomer, isotopic label, oxynitride or pharmaceutically-acceptable salt thereof. The invention also provides a preparation method for the compound, a pharmaceutical compositions and the application of the compound or the racemate, stereoisomer, tautomer,isotopic label, oxynitride or pharmaceutically-acceptable salt thereof.

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.

NEW CRYSTALLINE MODIFICATION OF 2-(3,5-BIS-TRIFLUOROMETHYL-PHENYL)-N-[6-(1,1-DIOXO-1λ6-THIOMORPHOLIN-4-YL)-4(4-FLUORO-2-METHYL-PHENYL)-PYRIDIN-3-YL]-N-METHYL-ISOBUTYRAMIDE

The present invention relates to a new crystalline modification of 2-(3,5-bis-trifluoromethyl-phenyl)-N-[6-(1,1-dioxo-1λ6-thiomorpholin-4-yl)-4(4-fluoro-2-methyl-phenyl)-pyridin-3-yl]-N-methyl-isobutyramide characterized by the following X-ray