2-Chloro-4-methylpyridine-3-carbonitrile

Base Information

• Chemical Name: 2-Chloro-4-methylpyridine-3-carbonitrile
• CAS No.: 65169-38-2
• Molecular Formula: C7H5 Cl N2
• Molecular Weight: 152.583
• Hs Code.: 2933399990
• European Community (EC) Number: 692-358-5
• DSSTox Substance ID: DTXSID20495838
• Nikkaji Number: J3.370.937D
• Wikidata: Q72454887
• Mol file: 65169-38-2.mol

Synonyms:2-Chloro-4-methylpyridine-3-carbonitrile;65169-38-2;2-chloro-4-methylnicotinonitrile;2-Chloro-4-methyl-nicotinonitrile;2-chloro-4-methyl-3-pyridinecarbonitrile;2-CHLORO-3-CYANO-4-METHYLPYRIDINE;MFCD07082888;3-PYRIDINECARBONITRILE, 2-CHLORO-4-METHYL-;chloro-4-methylnicotinonitrile;SCHEMBL677194;DTXSID20495838;BXUFVXSRHLSIMN-UHFFFAOYSA-N;2-Chloro-3-Cyano-4-Methyl Pyridine;AKOS006286038;AB30548;AC-2961;AS-5632;SY003428;AM20061409;CS-0043657;FT-0656505;2-chloranyl-4-methyl-pyridine-3-carbonitrile;EN300-114326;A834989

Chemical Property of 2-Chloro-4-methylpyridine-3-carbonitrile

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Boiling Point: 286.365oC at 760 mmHg
• Flash Point: 126.989oC
• Density: 1.269g/cm3
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 152.0141259
• Heavy Atom Count: 10
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-4-methylpyridine-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NC=C1)Cl)C#N

Technology Process of 2-Chloro-4-methylpyridine-3-carbonitrile

There total 10 articles about 2-Chloro-4-methylpyridine-3-carbonitrile 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: 98.2%

1,2-dihydro-2-oxo-4-methylpyridine-3-carbonitrile (93271-59-1) → 2-chloro-4-methyl-3-pyridinecarbonitrile (65169-38-2)

Guidance literature:

With phosphorus pentachloride; In water;

Reference yield: 89.2%

2-hydroxy-4-methylpyridine-3-carbonitrile (93271-59-1) → 2-chloro-4-methyl-3-pyridinecarbonitrile (65169-38-2)

Guidance literature:

With trichlorophosphate; for 1h; Heating / reflux;

Reference yield: 87.0%

2,6-dichloro-4-methylnicotinonitrile (875-35-4) → 2-chloro-4-methyl-3-pyridinecarbonitrile (65169-38-2)

Guidance literature:

With 5%-palladium/activated carbon; ammonium formate; In methanol; at 20 ℃; for 72h;

DOI:10.1021/jm201512x

upstream raw materials:

2-hydroxy-4-methylpyridine-3-carbonitrile

1,2-dihydro-2-oxo-4-methylpyridine-3-carbonitrile

2,6-dihydroxy-3-cyano-4-methylpyrimidine

2,6-dichloro-4-methylnicotinonitrile

Downstream raw materials:

4-(2-hydroxy-2-phenylethyl)-2-methoxypyridine-3-carbonitrile

methanesulfonic acid 2-(3-cyano-2-methoxy-pyridin-4-yl)-1-phenyl-ethyl ester

methyl 2-<3-<<<(1,1-dimethylthyl)dimethylsilyl>oxy>methyl>-2-methoxypyrid-4-yl>-2-<(phenoxy)thiocarbonyloxy>ethanoate

2-chloro-4-methyl-3-pyridinecarboxamide

Refernces

• 1、 Verghese, Jenson,Kong, Caleb J.,Rivalti, Daniel,Yu, Eric C.,Krack, Rudy,Alcázar, Jesus,Manley, Julie B.,McQuade, D. Tyler,Ahmad, Saeed,Belecki, Katherine,Gupton, B. Frank. "Increasing global access to the high-volume HIV drug nevirapine through process intensification". . p. 2986 - 2991. Retrieved 2017/07/24.
• 2、 -. "LOWCOST, HIGH YIELD SYNTHESIS OF NEVIRAPINE". . . Retrieved 2016/12/22.