3',4'-Dimethyl-biphenyl-4-carboxylic acid

Base Information

• Chemical Name: 3',4'-Dimethyl-biphenyl-4-carboxylic acid
• CAS No.: 122294-09-1
• Molecular Formula: C15H14O2
• Molecular Weight: 226.275
• Hs Code.: 2916399090
• European Community (EC) Number: 673-796-6
• DSSTox Substance ID: DTXSID50374384
• Wikidata: Q82162952
• Mol file: 122294-09-1.mol

Synonyms:122294-09-1;4-(3,4-dimethylphenyl)benzoic Acid;3',4'-Dimethyl-biphenyl-4-carboxylic acid;3',4'-dimethylbiphenyl-4-carboxylic acid;3',4'-Dimethyl-[1,1'-biphenyl]-4-carboxylic acid;SCHEMBL3234816;DTXSID50374384;GFGYCDJAIZGZTK-UHFFFAOYSA-N;XEA29409;MFCD04117429;3,4-Dimethylbiphenyl-4-carboxylicacid;AKOS002678590;AS-3222;FT-0642980;A804864;A804970;3',4'-Dimethyl-[1,1'-biphenyl]-4-carboxylicacid;3',4'-dimethyl[1,1'-biphenyl]-4-carboxylic acid;J-004782;[1,1'-Biphenyl]-4-carboxylicacid,3',4'-dimethyl-

Chemical Property of 3',4'-Dimethyl-biphenyl-4-carboxylic acid

Chemical Property:

• Boiling Point: 390.1 °C at 760 mmHg
• Flash Point: 180.6 °C
• PSA: 37.30000
• Density: 1.132 g/cm³
• LogP: 3.66860
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 266

Purity/Quality:

98%min ^*data from raw suppliers

4-(3,4-Dimethylphenyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)C

Technology Process of 3',4'-Dimethyl-biphenyl-4-carboxylic acid

There total 2 articles about 3',4'-Dimethyl-biphenyl-4-carboxylic 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: 77.0%

4-Bromobenzoic acid (586-76-5) + 3,4-dimethyl phenylboronic acid (55499-43-9) → 3',4'-dimethyl[1,1'-biphenyl]-4-carboxylic acid (122294-09-1)

Guidance literature:

4-Bromobenzoic acid; 3,4-dimethyl phenylboronic acid; With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water; for 5h; Heating / reflux;

With hydrogenchloride; In water;

Reference yield: 50.0%

methyl 3',4'-dimethyl-[1,1'-biphenyl]-4-carboxylate (647842-33-9) → 3',4'-dimethyl[1,1'-biphenyl]-4-carboxylic acid (122294-09-1)

Guidance literature:

With sodium hydroxide; In ethanol; at 60 ℃; for 2h;

DOI:10.1021/jm00128a025

Reference yield: 79.0%

3,4-diaminopyridine (54-96-6) + 3',4'-dimethyl[1,1'-biphenyl]-4-carboxylic acid (122294-09-1) → 2-(3',4'-dimethyl-biphenyl-4-yl)-3H-imidazo[4,5-c]pyridine (930767-62-7)

Guidance literature:

3,4-diaminopyridine; 3',4'-dimethyl[1,1'-biphenyl]-4-carboxylic acid; at 200 ℃; for 2h;

With sodium hydrogencarbonate; In water;

upstream raw materials:

methyl 3',4'-dimethyl-[1,1'-biphenyl]-4-carboxylate

4-Bromobenzoic acid

3,4-dimethyl phenylboronic acid

Downstream raw materials:

2-(3',4'-dimethyl-biphenyl-4-yl)-3H-imidazo[4,5-c]pyridine

Refernces

• 1、 Tilley,Clader,Zawoiski,Wirkus,LeMahieu,O'Donnell,Crowley,Welton. "Biphenylcarboxamide derivatives as antagonists of platelet-activating factor". . p. 1814 - 1820. Retrieved 2007/10/02.