4'-Methylbiphenyl-3-carboxylic acid

Base Information

• Chemical Name: 4'-Methylbiphenyl-3-carboxylic acid
• CAS No.: 147404-69-1
• Molecular Formula: C14H12O2
• Molecular Weight: 212.248
• Hs Code.: 2916399090
• European Community (EC) Number: 672-103-4
• DSSTox Substance ID: DTXSID40378811
• Nikkaji Number: J3.331.826J
• Wikidata: Q82168388
• ChEMBL ID: CHEMBL2089278
• Mol file: 147404-69-1.mol

Synonyms:147404-69-1;4'-Methylbiphenyl-3-carboxylic acid;4'-Methyl-[1,1'-biphenyl]-3-carboxylic acid;3-(4-methylphenyl)benzoic Acid;4'-Methyl-biphenyl-3-carboxylic acid;[1,1'-Biphenyl]-3-carboxylic acid, 4'-methyl-;4/'-METHYLBIPHENYL-3-CARBOXYLIC ACID;4'-Methylbiphenyl-3-carboxylic acid, AldrichCPR;SCHEMBL121436;CHEMBL2089278;DTXSID40378811;APYJGQZXCGXMGB-UHFFFAOYSA-N;MFCD00452725;4'-methyl biphenyl-3-carboxylic acid;AKOS002679748;AS-2068;4'-methyl-1,1'-biphenyl-3-carboxylic acid;BB 0222353;FT-0654040;4'-Methyl-[1,1'-biphenyl]-3-carboxylicacid;4'-methyl[1,1'-biphenyl]-3-carboxylic acid;F16599;J-008353

Chemical Property of 4'-Methylbiphenyl-3-carboxylic acid

Chemical Property:

• Boiling Point: 399.4 °C at 760 mmHg
• PKA: 4.14±0.10(Predicted)
• Flash Point: 182 °C
• PSA: 37.30000
• Density: 1.156 g/cm³
• LogP: 3.36020
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 212.083729621
• Heavy Atom Count: 16
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

4′-Methylbiphenyl-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O
• Uses: 4''-Methylbiphenyl-3-carboxylic acid

Technology Process of 4'-Methylbiphenyl-3-carboxylic acid

There total 9 articles about 4'-Methylbiphenyl-3-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: 99.0%

m-bromobenzoic acid (585-76-2) + 4-methylphenylboronic acid (5720-05-8) → 4'-methylbiphenyl-3-carboxylic acid (147404-69-1)

Guidance literature:

With 4C₃H₆N₆*Pd⁽²⁺⁾*2C₂H₃O₂^(1-); sodium carbonate; In water; at 80 ℃; for 2h; Green chemistry;

DOI:10.1021/jo402799t

Reference yield: 78.0%

→ 4'-methylbiphenyl-3-carboxylic acid (147404-69-1)

Guidance literature:

Reference yield: 76.0%

m-bromobenzoic acid (585-76-2) + p-tolylboronic pinacol ester (195062-57-8) → 4'-methylbiphenyl-3-carboxylic acid (147404-69-1)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium hydroxide; In neat (no solvent); at 110 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1002/adsc.201300741

upstream raw materials:

3,4'-dimethylbiphenyl

m-bromobenzoic acid

4-methylphenylboronic acid

ethyl 4′-methyl[1,1′-biphenyl]-3-carboxylate

Downstream raw materials:

methyl 4′-methyl-[1,1′-biphenyl]-3-carboxylate

3'',3'''-dichloro-5'',5'''-di(methoxycarbonyl)-4'',4'''-di[p-(3-methoxycarbonylphenyl)benzyloxy]-4',4'-diphenyl-3β-(3'-buten-1'-yl)cholestane

Refernces

• 1、 Liu, Wanyun,Zhou, Xiuming,Huo, Ping,Li, Jingbo,Mei, Guangquan. "Green synthesis of biphenyl carboxylic acids via Suzuki–Miyaura cross-coupling catalyzed by a water-soluble fullerene-supported PdCl2 nanocatalyst". . p. 50 - 52. Retrieved 2019/06/21.
• 2、 -. "NOVEL SELECTIVE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1". Page/Page column 21-22; 30. . Retrieved 2017/02/09.