2-Chloro-6-methylpyridine-4-carbonyl chloride

Base Information

• Chemical Name: 2-Chloro-6-methylpyridine-4-carbonyl chloride
• CAS No.: 26413-58-1
• Molecular Formula: C7H5Cl2NO
• Molecular Weight: 190.029
• Hs Code.: 29333990
• European Community (EC) Number: 624-869-6
• DSSTox Substance ID: DTXSID50381952
• Nikkaji Number: J307.795K
• Wikidata: Q82173170
• Mol file: 26413-58-1.mol

Synonyms:26413-58-1;2-Chloro-6-methylpyridine-4-carbonyl chloride;2-Chloro-6-methylisonicotinoyl chloride;2-Chloro-6-methylisonicotinoylchloride;4-Pyridinecarbonyl chloride, 2-chloro-6-methyl-;2-Chloro-6-methylpyridine-4-carbonylchloride;SCHEMBL348783;DTXSID50381952;YHKLLTUNTUJQSB-UHFFFAOYSA-N;MFCD00052829;AKOS006220966;2-chloro-6-methyl-isonicotinoyl chloride;AS-75525;2-Chloro-6-methyl-4-pyridinecarbonylchloride;FT-0611884;2-chloro-6-methyl-4-pyridinecarbonyl chloride;E74253;EN300-197115;A818430;J-016415;2-Chloro-6-methylpyridine-4-carbonyl chloride, 97%;Z1203161819

Chemical Property of 2-Chloro-6-methylpyridine-4-carbonyl chloride

Chemical Property:

• Vapor Pressure: 0.00688mmHg at 25°C
• Refractive Index: n20/D 1.5555
• Boiling Point: 270.3 °C at 760 mmHg
• PKA: -0.88±0.10(Predicted)
• Flash Point: 117.3 °C
• PSA: 29.96000
• Density: 1.384 g/cm³
• LogP: 2.42240
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 188.9748192
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloro-6-methylpyridine-4-carbonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=N1)Cl)C(=O)Cl

Technology Process of 2-Chloro-6-methylpyridine-4-carbonyl chloride

There total 3 articles about 2-Chloro-6-methylpyridine-4-carbonyl chloride 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:

2-chloro-6-methylpyridine-4-carboxylic acid (25462-85-5) → 2-chloro-6-methyl-4-pyridinecarbonyl chloride (26413-58-1)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In toluene; for 4h; Heating / reflux;

Reference yield:

1,2-dihydro-6-methyl-2-oxo-4-pyridinecarboxylic acid (86454-13-9) → 2-chloro-6-methyl-4-pyridinecarbonyl chloride (26413-58-1)

Guidance literature:

With trichlorophosphate; for 18h; Reflux;

DOI:10.1016/j.tet.2009.06.111

Reference yield:

→ 2-chloro-6-methyl-4-pyridinecarbonyl chloride (26413-58-1)

Guidance literature:

6-Methyl-2-oxo-1,2-dihydropyridin-4-carbonsaeure, PCl5;

upstream raw materials:

2-chloro-6-methylpyridine-4-carboxylic acid

1,2-dihydro-6-methyl-2-oxo-4-pyridinecarboxylic acid

Downstream raw materials:

2-chloro-6-methyl-isonicotinic acid methyl ester

N-(4-fluoro-3-methoxybenzyl)-4-(2-(((trans)-4-(hydroxymethyl)cyclohexyl)methyl)-2H-tetrazol-5-yl)-6-methylpicolinamide

N-(4-fluoro-3-(trifluoromethyl)benzyl)-4-(2-(((trans)-4-(hydroxymethyl)cyclohexyl)methyl)-2H-tetrazol-5-yl)-6-methylpicolinamide

N-(4-fluoro-3-methylbenzyl)-4-(2-(((trans)-4-(hydroxymethyl)cyclohexyl)methyl)-2H-tetrazol-5-yl)-6-methylpicolinamide

Refernces

• 1、 Ruminski, Peter G.,Massa, Mark,Strohbach, Joseph,Hanau, Cathleen E.,Schmidt, Michelle,Scholten, Jeffrey A.,Fletcher, Theresa R.,Hamper, Bruce C.,Carroll, Jeffery N.,Shieh, Huey S.,Caspers, Nicole,Collins, Brandon,Grapperhaus, Margaret,Palmquist, Katherine E.,Collins, Joe,Baldus, John E.,Hitchcock, Jeffrey,Kleine, H. Peter,Rogers, Michael D.,McDonald, Joseph,Munie, Grace E.,Messing, Dean M.,Portolan, Silvia,Whiteley, Laurence O.,Sunyer, Teresa,Schnute, Mark E.. "Discovery of N-(4-Fluoro-3-methoxybenzyl)-6-(2-(((2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl)methyl)-2H-tetrazol-5-yl)-2-methylpyrimidine-4-carboxamide. A Highly Selective and Orally Bioavailable Matrix Metalloproteinase-13 Inhibitor for the Potential Treatment of Osteoarthritis". . p. 313 - 327. Retrieved 2016/01/29.
• 2、 Schnute, Mark E.,O'Brien, Patrick M.,Nahra, Joe,Morris, Mark,Howard Roark,Hanau, Cathleen E.,Ruminski, Peter G.,Scholten, Jeffrey A.,Fletcher, Theresa R.,Hamper, Bruce C.,Carroll, Jeffery N.,Patt, William C.,Shieh, Huey S.,Collins, Brandon,Pavlovsky, Alexander G.,Palmquist, Katherine E.,Aston, Karl W.,Hitchcock, Jeffrey,Rogers, Michael D.,McDonald, Joseph,Johnson, Adam R.,Munie, Grace E.,Wittwer, Arthur J.,Man, Chiu-Fai,Settle, Steven L.,Nemirovskiy, Olga,Vickery, Lillian E.,Agawal, Arun,Dyer, Richard D.,Sunyer, Teresa. "Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis". scheme or table. p. 576 - 580. Retrieved 2010/04/26.