4-(2-Methylphenyl)nicotinic acid

Base Information

• Chemical Name: 4-(2-Methylphenyl)nicotinic acid
• CAS No.: 207850-76-8
• Molecular Formula: C₁₃H₁₁NO₂
• Molecular Weight: 213.236
• DSSTox Substance ID: DTXSID30579138
• Wikidata: Q82469555

Synonyms:207850-76-8;4-(2-METHYLPHENYL)NICOTINIC ACID;4-(2-methylphenyl)pyridine-3-carboxylic acid;4-o-tolyl-nicotinic acid;4-(o-tolyl)Nicotinic acid;4-o-Tolylnicotinic acid;SCHEMBL6637548;DTXSID30579138;IOHYKGWYACXFHG-UHFFFAOYSA-N;MFCD18207544;A1-09985

Chemical Property of 4-(2-Methylphenyl)nicotinic acid

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 213.078978594
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2=C(C=NC=C2)C(=O)O

Technology Process of 4-(2-Methylphenyl)nicotinic acid

There total 1 articles about 4-(2-Methylphenyl)nicotinic 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:

→ 4-o-tolyl-nicotinic acid (207850-76-8)

Guidance literature:

Reference yield:

3.5-bis-trifluorobenzyl-methyl amine + 4-o-tolyl-nicotinic acid (207850-76-8) → N-(3,5-bis-trifluoromethyl-benzyl)-N-methyl-4-o-tolyl-nicotinamide (290296-41-2)

Guidance literature:

With thionyl chloride; In dichloromethane; N,N-dimethyl-formamide; toluene;

Reference yield:

(3,5-bis-trifluoromethyl-benzyl)-cyclopropyl-amine (290297-42-6) + 4-o-tolyl-nicotinic acid (207850-76-8) → N-(3,5-Bis-trifluoromethyl-benzyl)-N-cyclopropyl-4-o-tolyl-nicotinamide

Guidance literature:

With thionyl chloride; In dichloromethane; N,N-dimethyl-formamide;

Downstream raw materials:

N-(3,5-bis-trifluoromethyl-benzyl)-N-methyl-4-o-tolyl-nicotinamide

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