6-CHLORO-N-NEOPENTYLNICOTINIC ACID

Base Information

• Chemical Name: 6-CHLORO-N-NEOPENTYLNICOTINIC ACID
• CAS No.: 585544-20-3
• Molecular Formula: C11H15ClN2O
• Molecular Weight: 226.706
• Mol file: 585544-20-3.mol

Synonyms:6-CHLORO-N-NEOPENTYLNICOTINIC ACID

Chemical Property of 6-CHLORO-N-NEOPENTYLNICOTINIC ACID

Chemical Property:

• Boiling Point: 371.3±27.0 °C(Predicted)
• PKA: 13.69±0.46(Predicted)
• PSA: 40.54000
• Density: 1.127±0.06 g/cm3(Predicted)
• LogP: 2.37720

Purity/Quality:

99.9% ^*data from raw suppliers

6-CHLORO-N-NEOPENTYLNICOTINIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 6-CHLORO-N-NEOPENTYLNICOTINIC ACID

There total 4 articles about 6-CHLORO-N-NEOPENTYLNICOTINIC ACID which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

6-Chloronicotinoyl chloride (58757-38-3) + 2.2-dimethylpropylamine (5813-64-9) → 6-chloro-N-(2,2-dimethylpropyl)-3-pyridinecarboxamide (585544-20-3)

Guidance literature:

With sodium carbonate; In dichloromethane; at 0 - 20 ℃; for 3 - 17.75h; Product distribution / selectivity;

Reference yield: 74.0%

6-Chloro-3-pyridinecarboxylic acid (5326-23-8) + 2.2-dimethylpropylamine (5813-64-9) → 6-chloro-N-(2,2-dimethylpropyl)-3-pyridinecarboxamide (585544-20-3)

Guidance literature:

With CoA ligase CBL; N-acyltransferase CASHT; In water; at 21 ℃; for 16h; Reagent/catalyst; Solvent; Enzymatic reaction;

Reference yield:

6-bromonicotinic acid (6311-35-9) + 2.2-dimethylpropylamine (5813-64-9) → 6-chloro-N-(2,2-dimethylpropyl)-3-pyridinecarboxamide (585544-20-3)

Guidance literature:

6-bromonicotinic acid; With thionyl chloride; at 95 ℃; for 2h; Neat (no solvent);

2.2-dimethylpropylamine; With sodium carbonate; In dichloromethane; at 20 ℃; for 2h;

upstream raw materials:

6-Chloronicotinoyl chloride

2.2-dimethylpropylamine

6-bromonicotinic acid

6-Chloro-3-pyridinecarboxylic acid

Downstream raw materials:

methyl 3-(5-{[(2,2-dimethylpropyl)amino]carbonyl}-2-pyridinyl)-5-fluoro-4-methylbenzoate

N-(2,2-dimethylpropyl)-6-{3-fluoro-5-[(3-isoxazolylamino)carbonyl]-2-methylphenyl}-3-pyridinecarboxamide

N-(2,2-dimethylpropyl)-6-(3-fluoro-2-methyl-5-{[(1-methyl-1H-pyrazol-5-yl)amino]carbonyl}phenyl)-3-pyridinecarboxamide

3-(5-{[(2,2-dimethylpropyl)amino]carbonyl}-2-pyridinyl)-5-fluoro-4-methylbenzoic acid

Refernces

• 1、 -. "METHOD FOR SYNTHESISING AMIDES". Page/Page column 39-40. . Retrieved 2018/03/06.
• 2、 Aston, Nicola M.,Bamborough, Paul,Buckton, Jacqueline B.,Edwards, Christopher D.,Holmes, Duncan S.,Jones, Katherine L.,Patel, Vipulkumar K.,Smee, Penny A.,Somers, Donald O.,Vitulli, Giovanni,Walker, Ann L.. "p38α mitogen-activated protein kinase inhibitors: Optimization of a series of biphenylamides to give a molecule suitable for clinical progression". experimental part. p. 6257 - 6269. Retrieved 2010/03/31.