Methyl 2-methyl-[1,1'-biphenyl]-4-carboxylate

Base Information

• Chemical Name: Methyl 2-methyl-[1,1'-biphenyl]-4-carboxylate
• CAS No.: 892843-59-3
• Molecular Formula: C₁₅H₁₄O₂
• Molecular Weight: 226.275
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID50705836
• Nikkaji Number: J2.493.604J
• Wikidata: Q82638893
• Mol file: 892843-59-3.mol

Synonyms:892843-59-3;Methyl 2-methyl-[1,1'-biphenyl]-4-carboxylate;Methyl 2-methylbiphenyl-4-carboxylate;methyl 3-methyl-4-phenylbenzoate;Methyl2-methyl-[1,1'-biphenyl]-4-carboxylate;2-Methyl-biphenyl-4-carboxylic Acid Methyl Ester;SCHEMBL3748237;DTXSID50705836;Methyl 4-phenyl-3-methylbenzoate;AZRDKIMMTUWBOS-UHFFFAOYSA-N;MFCD18837636;AKOS015907814;BS-25782;Methyl 2-methyl[1,1'-biphenyl]-4-carboxylate;2-Methyl-1,1'-biphenyl-4-carboxylic acid methyl ester

Chemical Property of Methyl 2-methyl-[1,1'-biphenyl]-4-carboxylate

Chemical Property:

• PSA: 26.30000
• LogP: 3.44860
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 256

Purity/Quality:

95% ^*data from raw suppliers

Methyl2-Methylbiphenyl-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-methyl-[1,1'-biphenyl]-4-carboxylate

There total 8 articles about Methyl 2-methyl-[1,1'-biphenyl]-4-carboxylate 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%

methyl 3-bromo-4-methylbenzoate (104901-43-1) + phenylboronic acid (98-80-6) → 2-methyl-biphenyl-4-carboxylic acid methyl ester (892843-59-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In toluene; at 90 ℃; for 18h;

Reference yield: 92.0%

6-Methyl-2-(1-phenyl-1H-tetrazol-5-yloxy)-biphenyl-4-carboxylic acid methyl ester → 2-methyl-biphenyl-4-carboxylic acid methyl ester (892843-59-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; for 72h; under 2280 Torr; Ambient temperature;

DOI:10.1016/S0040-4020(97)01054-5

Reference yield: 82.0%

(2E,4E)-methyl-5-phenyl-2-(3-(triisopropylsilyl)prop-2-yn-1-yl)penta-2,4-dienoate → 2-methyl-biphenyl-4-carboxylic acid methyl ester (892843-59-3)

Guidance literature:

With tetrabutyl ammonium fluoride; water; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 40 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.joc.5b00728

upstream raw materials:

3-hydroxy-5-methyl-4-phenyl benzoic acid methyl ester

4-Bromo-3-methylbenzoic acid methyl ester

phenylboronic acid

methyl 4-iodo-3-methylbenzoate

Downstream raw materials:

2-methyl[1,1'-biphenyl]-4-carboxylic acid