2-Methyl-6-phenylnicotinic acid

Base Information

• Chemical Name: 2-Methyl-6-phenylnicotinic acid
• CAS No.: 66416-49-7
• Molecular Formula: C13H11NO2
• Molecular Weight: 213.236
• Hs Code.: 2933399090
• European Community (EC) Number: 823-894-1
• DSSTox Substance ID: DTXSID80356390
• Nikkaji Number: J406.611A
• Wikidata: Q82135701
• ChEMBL ID: CHEMBL1401782
• Mol file: 66416-49-7.mol

Synonyms:2-methyl-6-phenylnicotinic acid;66416-49-7;2-methyl-6-phenylpyridine-3-carboxylic acid;MLS000760895;SCHEMBL4429929;CHEMBL1401782;DTXSID80356390;XFJZPGWVRLQCHP-UHFFFAOYSA-N;HMS1773I06;HMS2737E09;2-Methyl-6-phenyl-3-nicotinic acid;MFCD05739390;AKOS000119309;BS-29355;SMR000372195;CS-0207159;FT-0729880;EN300-23740;Z164706354

Chemical Property of 2-Methyl-6-phenylnicotinic acid

Chemical Property:

• Vapor Pressure: 3.24E-06mmHg at 25°C
• Boiling Point: 372.7oC at 760 mmHg
• Flash Point: 179.2oC
• PSA: 50.19000
• Density: 1.206g/cm3
• LogP: 2.75520
• 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: 248

Purity/Quality:

97% ^*data from raw suppliers

2-methyl-6-phenylpyridine-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methyl-6-phenylnicotinic acid

There total 4 articles about 2-Methyl-6-phenylnicotinic 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: 44.2%

3-Acetyl-6-phenyl-2-pyranone (136819-89-1) → 2-Methyl-6-phenyl-3-nicotinic acid (66416-49-7)

Guidance literature:

With ammonium hydroxide; In methanol; Heating;

DOI:10.1248/cpb.39.1655

Reference yield:

3-Oxo-3-phenylpropanal (15397-33-8) → 2-Methyl-6-phenyl-3-nicotinic acid (66416-49-7)

Guidance literature:

Multi-step reaction with 2 steps

1: absolute diethyl ether

2: alkaline solution

With diethyl ether; alkaline solution;

Reference yield:

ethyl 2-methyl-6-phenylnicotinate (1702-14-3) → 2-Methyl-6-phenyl-3-nicotinic acid (66416-49-7)

Guidance literature:

With alkaline solution;

upstream raw materials:

ethyl 2-methyl-6-phenylnicotinate

3-Acetyl-6-phenyl-2-pyranone

3-Oxo-3-phenylpropanal

Downstream raw materials:

C₂₂H₁₇N₃O

2,7-diphenyl-7,8-dihydro-pyrano[4,3-b]pyridin-5-one

6-phenyl-2-trans-styryl-nicotinic acid

2-(3-nitro-trans-styryl)-6-phenyl-nicotinic acid

Refernces

• 1、 Takeuchi,Handa,Koyama,Kamata,Goto,Tobinaga. "Annelation reactions of enaminones with ethyl acetoacetate. Studies on the β-carbonyl compounds connected with β-polyketides. XI". . p. 1655 - 1658. Retrieved 2007/10/02.