[4-(3-Methylphenyl)phenyl]acetic acid

Base Information

• Chemical Name: [4-(3-Methylphenyl)phenyl]acetic acid
• CAS No.: 296777-83-8
• Molecular Formula: C15H14O2
• Molecular Weight: 226.274
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID80362734
• Nikkaji Number: J1.402.315A
• Wikidata: Q82146094
• Mol file: 296777-83-8.mol

Synonyms:296777-83-8;[4-(3-Methylphenyl)phenyl]acetic acid;2-(3'-Methyl-[1,1'-biphenyl]-4-yl)acetic acid;2-[4-(3-methylphenyl)phenyl]acetic acid;2-(3'-Methyl-[1,1'-biphenyl]-4-yl)aceticacid;SCHEMBL12087753;3'-Methylbiphenyl-4-acetic acid;DTXSID80362734;3'-Methyl-biphenyl-4-acetic acid;WLA77783;MFCD05980203;AKOS002678449;BS-22248;CS-0450572

Chemical Property of [4-(3-Methylphenyl)phenyl]acetic acid

Chemical Property:

• PSA: 37.30000
• LogP: 3.28910
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

2-(3'-Methyl-[1,1'-biphenyl]-4-yl)aceticacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of [4-(3-Methylphenyl)phenyl]acetic acid

There total 1 articles about [4-(3-Methylphenyl)phenyl]acetic 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: 47.0%

meta-bromotoluene (591-17-3) + C8H6KO2(1-)*K(1+) → 3'-methyl-(1,1'-biphenylyl)-4-acetic acid (296777-83-8)

Guidance literature:

In ammonia; for 5h; Irradiation;

DOI:10.1021/ol006177f

Reference yield:

3'-methyl-(1,1'-biphenylyl)-4-acetic acid (296777-83-8) + tert-butyl 3-amino-5-cyclopropyl-1H-pyrazole-1-carboxylate (326827-13-8) → 5-cyclopropyl-3-[2-(3'-methyl-biphenyl-4-yl)-acetylamino]-pyrazole-1-carboxylic acid tert-butyl ester

Guidance literature:

3'-methyl-(1,1'-biphenylyl)-4-acetic acid; With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 0 ℃; for 1h;

tert-butyl 3-amino-5-cyclopropyl-1H-pyrazole-1-carboxylate; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1021/jm031145u

Reference yield:

3'-methyl-(1,1'-biphenylyl)-4-acetic acid (296777-83-8) → N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3'-methyl-biphenyl-4-yl)-acetamide

Guidance literature:

Multi-step reaction with 2 steps

1.1: N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide hydrochloride / CH₂Cl₂ / 1 h / 0 °C

1.2: CH₂Cl₂ / 16 h / 20 °C

2.1: trifluoroacetic acid / CH₂Cl₂ / 1 h

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trifluoroacetic acid; In dichloromethane;

DOI:10.1021/jm031145u

upstream raw materials:

meta-bromotoluene