2-Chloro-6-methyl-4-phenyl-3-pyridinecarboxylic acid

Base Information

• Chemical Name: 2-Chloro-6-methyl-4-phenyl-3-pyridinecarboxylic acid
• CAS No.: 183551-60-2
• Molecular Formula: C13H10ClNO2
• Molecular Weight: 247.681
• DSSTox Substance ID: DTXSID801221259
• Mol file: 183551-60-2.mol

Synonyms:2-chloro-6-methyl-4-phenyl-3-pyridinecarboxylic acid;SCHEMBL6990474;AJXVJGNSCGWNFP-UHFFFAOYSA-N;DTXSID801221259;183551-60-2

Chemical Property of 2-Chloro-6-methyl-4-phenyl-3-pyridinecarboxylic acid

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 247.0400063
• Heavy Atom Count: 17
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C(=N1)Cl)C(=O)O)C2=CC=CC=C2

Technology Process of 2-Chloro-6-methyl-4-phenyl-3-pyridinecarboxylic acid

There total 6 articles about 2-Chloro-6-methyl-4-phenyl-3-pyridinecarboxylic 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: 80.0%

ethyl 2-chloro-6-methyl-4-phenylnicotinate (183551-54-4) → 2-chloro-6-methyl-4-phenylnicotinic acid (183551-60-2)

Guidance literature:

With sodium hydroxide; In ethanol; Heating;

DOI:10.1016/j.tet.2004.01.097

Reference yield:

aqueous 4N-sodium hydroxide + ethyl 2-chloro-6-methyl-4-phenylnicotinate (183551-54-4) → 2-chloro-6-methyl-4-phenylnicotinic acid (183551-60-2)

Guidance literature:

With hydrogenchloride; In ethanol;

Reference yield:

4N-sodium hydroxide + ethyl 2-chloro-6-methyl-4-phenylnicotinate (183551-54-4) → 2-chloro-6-methyl-4-phenylnicotinic acid (183551-60-2) + N-[3,5-Bis(trifluoromethyl)benzyl]-2-chloro-N-(2-hydroxyethyl)-6-methyl-4-phenyl-3-pyridinecarboxamide (183551-59-9)

Guidance literature:

With hydrogenchloride; In ethanol;

upstream raw materials:

ethyl 2-chloro-6-methyl-4-phenylnicotinate

(Z)-2-cyano-3-phenylbut-2-enoic acid ethyl ester

ethyl 2-cyano-5-(dimethylamino)-3-phenylhexa-2,4-dienoate

Downstream raw materials:

N-[3,5-bis(trifluoromethyl)benzyl]-2-chloro-N-(3-hydroxypropyl)-6-methyl-4-phenylnicotinamide

N-[3,5-Bis(trifluoromethyl)benzyl]-2-chloro-N-(2-hydroxyethyl)-6-methyl-4-phenyl-3-pyridinecarboxamide

4-[3,5-bis(Trifluoromethyl)benzyl]-2,3,4,5-tetrahydro-8-methyl-5-oxo-6-phenyl pyrido[3,2-f][1,4]oxazepine