Methyl 3-(4-methoxyphenyl)benzoate

Base Information

• Chemical Name: Methyl 3-(4-methoxyphenyl)benzoate
• CAS No.: 19617-68-6
• Molecular Formula: C15H14O3
• Molecular Weight: 242.27
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID20358358
• Nikkaji Number: J1.994.413A
• Wikidata: Q82138867
• Mol file: 19617-68-6.mol

Synonyms:methyl 3-(4-methoxyphenyl)benzoate;19617-68-6;Methyl 4'-methoxy-[1,1'-biphenyl]-3-carboxylate;METHYL 4/'-METHOXY[1,1/'-BIPHENYL]-3-CARBOXYLATE;Methyl4'-methoxy-[1,1'-biphenyl]-3-carboxylate;SCHEMBL7825137;DTXSID20358358;MFCD03720843;AKOS002679585;BS-25447;BB 0222644;CS-0206340;methyl 4'-methoxy[1,1'-biphenyl]-3-carboxylate;SR-01000260940;SR-01000260940-1

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

Chemical Property:

• PSA: 35.53000
• LogP: 3.14880
• Storage Temp.: 2-8°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 242.094294304
• Heavy Atom Count: 18
• Complexity: 269

Purity/Quality:

99% ^*data from raw suppliers

Methyl4''-Methoxy-[1,1''-biphenyl]-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)OC

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

There total 22 articles about Methyl 3-(4-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: 99.0%

methyl 3-((N,N-dimethylsulfamoyl)oxy)benzoate (338396-38-6) + 2-(4-methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborolane (213596-33-9) → methyl 4′-methoxy(1,1′-biphenyl)-3-carboxylate (19617-68-6)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; potassium phosphate; tricyclohexylphosphine; In tetrahydrofuran; at 25 ℃; for 12h; Inert atmosphere;

DOI:10.1021/jo202037x

Reference yield: 97.0%

methyl 3-chlorobenzoate (2905-65-9) + 2-(4-methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborolane (213596-33-9) → methyl 4′-methoxy(1,1′-biphenyl)-3-carboxylate (19617-68-6)

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: 96.0%

methyl 3-((methylsulfonyl)oxy)benzoate (161912-35-2) + 2-(4-methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborolane (213596-33-9) → methyl 4′-methoxy(1,1′-biphenyl)-3-carboxylate (19617-68-6)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; potassium phosphate; tricyclohexylphosphine; In tetrahydrofuran; at 25 ℃; for 4h; Inert atmosphere;

DOI:10.1021/jo202037x

upstream raw materials:

methanol

methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

1-bromo-4-methoxy-benzene

4-methoxyphenylboronic acid

Downstream raw materials:

2-(4'-methoxybiphenyl-3-yl)benzo[d]thiazole

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