Methyl 3-(4-methylphenyl)benzoate

Base Information

• Chemical Name: Methyl 3-(4-methylphenyl)benzoate
• CAS No.: 114772-33-7
• Molecular Formula: C15H14O2
• Molecular Weight: 226.27046
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00362736
• Nikkaji Number: J1.006.195D
• Wikidata: Q82146100
• Mol file: 114772-33-7.mol

Synonyms:Methyl 3-(4-methylphenyl)benzoate;114772-33-7;Methyl 4'-methyl-[1,1'-biphenyl]-3-carboxylate;4'-Methyl-biphenyl-3-carboxylic acid methyl ester;methyl 4'-methylbiphenyl-3-carboxylate;SCHEMBL514;Methyl4'-methyl-[1,1'-biphenyl]-3-carboxylate;DTXSID00362736;[1,1'-Biphenyl]-3-carboxylic acid, 4'-methyl-, methyl ester;MFCD05981251;AKOS002679583;AS-3193;3-(4-Methylphenyl)benzoic acid methyl ester;BB 0222647;CS-0441451;methyl 4'-methyl[1,1'-biphenyl]-3-carboxylate;A907375

Chemical Property of Methyl 3-(4-methylphenyl)benzoate

Chemical Property:

• PSA: 26.30000
• LogP: 3.44860
• Storage Temp.: 2-8°C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

97% ^*data from raw suppliers

Methyl3-(4-Methylphenyl)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 3-(4-methylphenyl)benzoate

There total 19 articles about Methyl 3-(4-methylphenyl)benzoate 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: 97.0%

methyl 3-chlorobenzoate (2905-65-9) + 5,5-dimethyl-2-(4-methylphenyl)-1,3,2-dioxaborinane (380481-66-3) → methyl 4′-methyl-[1,1′-biphenyl]-3-carboxylate (114772-33-7)

Guidance literature:

With potassium phosphate tribasic hydrate; Ni^IICl(1-naphthyl)(tricyclohexylphosphine)₂; tricyclohexylphosphine; In tetrahydrofuran; at 23 ℃; for 4h; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1055/s-0035-1562342

Reference yield: 97.0%

5-(p-tolyl)-5H-thianthren-5-ium trifluoromethanesulfonate + [3-(methoxycarbonyl)phenyl]boronic acid (99769-19-4) → methyl 4′-methyl-[1,1′-biphenyl]-3-carboxylate (114772-33-7)

Guidance literature:

With bis(tri-t-butylphosphine)palladium⁽⁰⁾; sodium hydrogencarbonate; In dichloromethane; acetone; at 20 ℃; for 12h; Inert atmosphere; Schlenk technique;

DOI:10.1039/d0cc00641f

Reference yield: 91.0%

methyl 3-chlorobenzoate (2905-65-9) + 4-methylphenylboronic acid (5720-05-8) → methyl 4′-methyl-[1,1′-biphenyl]-3-carboxylate (114772-33-7)

Guidance literature:

With Merrifield resin-bound dicyclohexylphosphinobiphenyl ligand; caesium carbonate; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In tetrahydrofuran; at 65 ℃;

DOI:10.1021/jo010025w

upstream raw materials:

4-tolyl iodide

methyl 3-iodo-benzoate

4-methylphenylboronic acid

methyl 3-((methylsulfonyl)oxy)benzoate

Downstream raw materials:

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

2-butyl-1-<(3'-carboxybiphenyl-4-yl)methyl>-5-(hydroxymethyl)imidazole

2-butyl-1-<(3'-carboxybiphenyl-4-yl)methyl>-4-chloro-5-(hydroxymethyl)imidazole

2-butyl-1-<(3'-carbomethoxybiphenyl-4-yl)methyl>-5-(hydroxymethyl)imidazole