2-(4-Methylphenyl)benzoic acid

Base Information

• Chemical Name: 2-(4-Methylphenyl)benzoic acid
• CAS No.: 7148-03-0
• Molecular Formula: C14H12O2
• Molecular Weight: 212.248
• Hs Code.: 29163990
• European Community (EC) Number: 230-462-0
• NSC Number: 26069
• UNII: 9XZ5ON5Y1P
• DSSTox Substance ID: DTXSID2064573
• Nikkaji Number: J227.398E
• Wikidata: Q72488224
• Mol file: 7148-03-0.mol

Synonyms:7148-03-0;4'-Methylbiphenyl-2-carboxylic acid;2-(4-Methylphenyl)benzoic acid;4'-Methyl-[1,1'-biphenyl]-2-carboxylic acid;4'-Methyl-2-biphenylcarboxylic acid;2-(p-Tolyl)benzoic Acid;[1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl-;4'-methyl-biphenyl-2-carboxylic acid;2-Biphenylcarboxylic acid, 4'-methyl-;Benzoic acid, 2-(4-methylphenyl)-;9XZ5ON5Y1P;Biphenyl-2-carboxylic acid, 4'-methyl-;4'-methyl[1,1'-biphenyl]-2-carboxylic acid;(1,1'-Biphenyl)-2-carboxylic acid, 4'-methyl-;EINECS 230-462-0;NSC 26069;NSC-26069;4'-methyl-1,1'-biphenyl-2-carboxylic acid;4'-Methyl(1,1'-biphenyl)-2-carboxylic acid;NSC26069;2-p-Toluylbenzoesaure;p-toluene benzoic acid;Enamine_005589;SCHEMBL372;UNII-9XZ5ON5Y1P;4-methyl-2'-carboxybiphenyl;o-(4-methylphenyl)benzoic acid;DTXSID2064573;2-(4'-methylphenyl)benzoic acid;HMS1409O01;2-CARBOXY-4'-METHYLBIPHENYL;4-methyl-2'-biphenylcarboxylic acid;MFCD00045826;2-biphenyl-4'-methyl-carboxylic acid;4'-Methylbiphenyl -2-carboxylic acid;4\'-Methylbiphenyl-2-carboxylic acid;AKOS000278512;AC-6379;AM90303;DS-1469;(4'-methylbiphenyl-2-yl)carboxylic acid;4'-Methyl-2-biphenylcarboxylic acid, 97%;4'methyl-[1,1'biphenyl]-2-carboxylic acid;A9355;BB 0222589;CS-0019292;FT-0636364;T2377;4'-Methyl-[1,1'-biphenyl]-2-carboxylicacid;4'-METHYL-2-BIPHENYLYLCARBOXYLIC ACID;EN300-17191;W-104523

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

Chemical Property:

• Melting Point: 146-148 °C
• Boiling Point: 354.5 °C at 760 mmHg
• PKA: 3.90±0.36(Predicted)
• Flash Point: 165.3 °C
• PSA: 37.30000
• Density: 1.156 g/cm³
• LogP: 3.36020
• Storage Temp.: Room temperature.
• Solubility.: DMSO, Methanol
• XLogP3: 3.3
• 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-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)O
• Uses: 4’-Methylbiphenyl-2-carboxylic Acid is used in the synthesis of angiotensin II receptor antagonists used as potent orally active antihypertensives.

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

There total 48 articles about 2-(4-Methylphenyl)benzoic 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: 100.0%

2-(p-tolyl)-α,α,α-trifluorotoluene (145486-55-1) → o-tolylbenzoic acid (7148-03-0)

Guidance literature:

With alumina; at 100 - 250 ℃;

DOI:10.1039/c5cc08747c

Reference yield: 99.0%

methyl 4'-methylbiphenyl-2-carboxylate (114772-34-8) → o-tolylbenzoic acid (7148-03-0)

Guidance literature:

With sodium hydroxide; In methanol; water; Heating;

DOI:10.1021/jm00067a015

Reference yield: 99.0%

p-tolylboronic pinacol ester (195062-57-8) + 2-bromobenzoic-acid (88-65-3) → o-tolylbenzoic acid (7148-03-0)

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:

methyl 4'-methylbiphenyl-2-carboxylate

4,4-dimethyl-2-(4'-methyl-biphenyl-2-yl)-4,5-dihydrooxazole

2,6-di-tert-butyl-4-methylphenyl 4'-methylbiphenyl-2-carboxylate

4-methylphenylboronic acid

Downstream raw materials:

methyl 4'-methylbiphenyl-2-carboxylate

tert-butyl 4'-methyl-2-biphenylcarboxylate

2-Cyano-4'-methylbiphenyl

2-(4-methylphenyl)aniline

Refernces

• 1、 Bera, Shyamal Kanti,Mal, Prasenjit. "Mechanochemical-Cascaded C-N Cross-Coupling and Halogenation Using N-Bromo- And N-Chlorosuccinimide as Bifunctional Reagents". . p. 14144 - 14159. Retrieved 2021/09/13.
• 2、 Wei, Yi,Duan, Abing,Tang, Pan-Ting,Li, Jia-Wei,Peng, Rou-Ming,Zhou, Zheng-Xin,Luo, Xiao-Peng,Kurmoo, Mohamedally,Liu, Yue-Jin,Zeng, Ming-Hua. "Remote and Selective C(sp2)-H Olefination for Sequential Regioselective Linkage of Phenanthrenes". supporting information. p. 4129 - 4134. Retrieved 2020/06/08.