Methyl 2-hydroxy-4-phenylbenzoate

Base Information

• Chemical Name: Methyl 2-hydroxy-4-phenylbenzoate
• CAS No.: 117369-94-5
• Molecular Formula: C14H12O3
• Molecular Weight: 228.247
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID10558486
• Wikidata: Q82440811
• Mol file: 117369-94-5.mol

Synonyms:117369-94-5;Methyl 2-hydroxy-4-phenylbenzoate;Methyl 3-hydroxy-[1,1'-biphenyl]-4-carboxylate;[1,1'-Biphenyl]-4-carboxylic acid, 3-hydroxy-, methyl ester;Methyl3-hydroxy-[1,1'-biphenyl]-4-carboxylate;SCHEMBL21681991;DTXSID10558486;MFCD20231496;AKOS015888642;Methyl 3-hydroxy-4-biphenylcarboxylate;BS-19302;CS-0150881;D82555;Methyl 3-hydroxy[1,1'-biphenyl]-4-carboxylate

Chemical Property of Methyl 2-hydroxy-4-phenylbenzoate

Chemical Property:

• PSA: 46.53000
• LogP: 2.84580
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 228.078644241
• Heavy Atom Count: 17
• Complexity: 258

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-hydroxy-4-phenylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-hydroxy-4-phenylbenzoate

There total 6 articles about Methyl 2-hydroxy-4-phenylbenzoate 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: 96.0%

methyl 3-methoxy-[1,1‘-biphenyl]-4-carboxylate (175152-70-2) → methyl 3-hydroxy-[1,1’-biphenyl]-4-carboxylate (117369-94-5)

Guidance literature:

With boron tribromide; In dichloromethane; at -70 ℃; for 0.166667h; Cooling with acetone-dry ice;

Reference yield: 11.0%

3-Oxo-5-phenyl-hept-6-enoic acid methyl ester (88681-86-1) → methyl 3-hydroxy-[1,1’-biphenyl]-4-carboxylate (117369-94-5)

Guidance literature:

With copper diacetate; manganese triacetate; In acetic acid; Ambient temperature;

DOI:10.1021/jo00262a016

Reference yield:

methyl 4-bromo-2-methoxybenzoate (139102-34-4) → methyl 3-hydroxy-[1,1’-biphenyl]-4-carboxylate (117369-94-5)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate / ethanol; water; toluene / 4 h / 100 °C / Inert atmosphere

2: boron tribromide / dichloromethane / 0.17 h / -70 °C

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; boron tribromide; sodium carbonate; In ethanol; dichloromethane; water; toluene;

upstream raw materials:

3-hydroxy-[1,1'-biphenyl]-4-carboxylic acid

dimethyl sulfate

3-Oxo-5-phenyl-hept-6-enoic acid methyl ester

4-bromo-2-Hydroxybenzoic Acid Methylester

Downstream raw materials:

3-(2-hydroxy-ethoxy)-biphenyl-4-carboxylic acid methylamide

3-hydroxy-[1,1'-biphenyl]-4-carboxylic acid