Methyl 3-(2-methoxyphenyl)benzoate

Base Information

• Chemical Name: Methyl 3-(2-methoxyphenyl)benzoate
• CAS No.: 168618-50-6
• Molecular Formula: C₁₅H₁₄O₃
• Molecular Weight: 242.274
• Hs Code.: 2916310090
• DSSTox Substance ID: DTXSID201185550
• Mol file: 168618-50-6.mol

Synonyms:168618-50-6;Methyl 3-(2-methoxyphenyl)benzoate;methyl 2'-methoxy-[1,1'-biphenyl]-3-carboxylate;methyl 2'-methoxy[1,1'-biphenyl]-3-carboxylate;SCHEMBL6082944;NLUPAXIJLKCVFW-UHFFFAOYSA-N;DTXSID201185550;MFCD06801762;AKOS004114111;AS-3076;BB 0222642;methyl2'-methoxy-[1,1'-biphenyl]-3-carboxylate;A921392;Methyl 2''-methoxy-[1,1''-biphenyl]-3-carboxylate';[1,1'-Biphenyl]-3-carboxylic acid, 2'-methoxy-, methyl ester

Chemical Property of Methyl 3-(2-methoxyphenyl)benzoate

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 242.094294304
• Heavy Atom Count: 18
• Complexity: 277

Purity/Quality:

97% ^*data from raw suppliers

Methyl3-(2-Methoxyphenyl)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=CC=C1C2=CC(=CC=C2)C(=O)OC

Technology Process of Methyl 3-(2-methoxyphenyl)benzoate

There total 5 articles about Methyl 3-(2-methoxyphenyl)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: 93.0%

methyl 3-bromobenzoate (618-89-3) + bis-(2-methoxyphenyl)zinc (1256169-20-6) → methyl 2'-methoxy(1,1'-biphenyl)-3-carboxylate (168618-50-6)

Guidance literature:

With dichloro{bis[1-(dicyclohexylphosphanyl)piperidine]}palladium(II); In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; at 100 ℃; for 1h; In air;

DOI:10.1002/chem.201001201

Reference yield: 85.0%

methyl 3-bromobenzoate (618-89-3) + 2-Methoxyphenylboronic acid (5720-06-9) → methyl 2'-methoxy(1,1'-biphenyl)-3-carboxylate (168618-50-6)

Guidance literature:

With potassium phosphate monohydrate; XPhos; palladium diacetate; In tetrahydrofuran; at 20 ℃; for 18h;

Reference yield: 84.0%

methyl 3-((methylsulfonyl)oxy)benzoate (161912-35-2) + 5,5-dimethyl-2-(2-methoxyphenyl)-[1,3,2]dioxaborinane (335343-05-0) → methyl 2'-methoxy(1,1'-biphenyl)-3-carboxylate (168618-50-6)

Guidance literature:

With potassium phosphate; trans-chloro(1-naphthyl)bis-(triphenylphosphine)nickel(II); tricyclohexylphosphine; In tetrahydrofuran; at 25 ℃; for 12h; Inert atmosphere;

DOI:10.1021/jo3001194

upstream raw materials:

tetrakis(triphenylphosphine) palladium⁽⁰⁾

methyl 3-bromobenzoate

2-Methoxyphenylboronic acid

bis-(2-methoxyphenyl)zinc

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