Methyl 5-benzyl-3-furoate

Base Information

• Chemical Name: Methyl 5-benzyl-3-furoate
• CAS No.: 20416-08-4
• Molecular Formula: C13H12 O3
• Molecular Weight: 216.236
• European Community (EC) Number: 243-801-2
• DSSTox Substance ID: DTXSID1066607
• Nikkaji Number: J280.589H
• Wikidata: Q81993184
• Mol file: 20416-08-4.mol

Synonyms:Methyl 5-benzyl-3-furoate;20416-08-4;3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester;EINECS 243-801-2;DTXSID1066607;5-Benzylfuran-3-carboxylic acid methyl ester

Chemical Property of Methyl 5-benzyl-3-furoate

Chemical Property:

• Vapor Pressure: 0.000315mmHg at 25°C
• Boiling Point: 320.6°Cat760mmHg
• Flash Point: 147.7°C
• PSA: 39.44000
• Density: 1.14g/cm³
• LogP: 2.65700
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 216.078644241
• Heavy Atom Count: 16
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=COC(=C1)CC2=CC=CC=C2

Technology Process of Methyl 5-benzyl-3-furoate

There total 4 articles about Methyl 5-benzyl-3-furoate 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%

(E)-methyl 2-(acetoxymethyl)-5-phenylpent-2-en-4-ynoate (1569083-76-6) → methyl 5-benzylfuran-3-carboxylate (20416-08-4)

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃; for 4h;

DOI:10.1039/c3ob42396d

Reference yield:

(E)-methyl 2-(hydroxymethyl)-5-phenylpent-2-en-4-ynoate (1569083-78-8) → methyl 5-benzylfuran-3-carboxylate (20416-08-4)

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃; for 4h;

DOI:10.1039/c3ob42396d

Reference yield:

methyl 3-acetoxy-2-methylene-5-phenylpent-4-ynoate → methyl 5-benzylfuran-3-carboxylate (20416-08-4)

Guidance literature:

Multi-step reaction with 3 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / acetonitrile / 12 h / 20 °C

2: potassium carbonate; methanol / 0.08 h / 0 °C

3: potassium carbonate / methanol / 4 h / 20 °C

With methanol; tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In methanol; acetonitrile;

DOI:10.1039/c3ob42396d

upstream raw materials:

(E)-methyl 2-(hydroxymethyl)-5-phenylpent-2-en-4-ynoate

(E)-methyl 2-(acetoxymethyl)-5-phenylpent-2-en-4-ynoate

Downstream raw materials:

(5-benzylfuran-3-yl)methanol

Refernces