5-Benzyl-2-furoic acid

Base Information

• Chemical Name: 5-Benzyl-2-furoic acid
• CAS No.: 1917-16-4
• Molecular Formula: C12H10 O3
• Molecular Weight: 202.21
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID00385329
• ChEMBL ID: CHEMBL382520
• Mol file: 1917-16-4.mol

Synonyms:5-Benzyl-2-furoic acid;5-benzylfuran-2-carboxylic Acid;1917-16-4;CHEMBL382520;EC-000.1523;Oprea1_494585;5-benzylfuran-2-carboxylicAcid;SCHEMBL3532005;DTXSID00385329;OYAHUAHATRUQAN-UHFFFAOYSA-N;BBL005128;BDBM50175429;STK732946;AKOS005526453;SB61250;NCGC00321238-01;VS-01559;2-furancarboxylic acid, 5-(phenylmethyl)-;CS-0315082;AB01315034-02;A912602;SR-01000509799;SR-01000509799-1

Chemical Property of 5-Benzyl-2-furoic acid

Chemical Property:

• Vapor Pressure: 8.4E-06mmHg at 25°C
• Refractive Index: 1.582
• Boiling Point: 359.7°Cat760mmHg
• Flash Point: 171.4°C
• PSA: 50.44000
• Density: 1.231g/cm³
• LogP: 2.56860
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 202.062994177
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-benzylfuran-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=CC=C(O2)C(=O)O

Technology Process of 5-Benzyl-2-furoic acid

There total 7 articles about 5-Benzyl-2-furoic acid 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:

5-benzoyl-furan-2-carboxylic acid (35897-51-9) → 5-benzyl-furan-2-carboxylic acid (1917-16-4)

Guidance literature:

With potassium hydroxide; hydrazine; In ethylene glycol;

Reference yield:

methyl 5-benzyl-2-furancarboxylate (34885-96-6) → 5-benzyl-furan-2-carboxylic acid (1917-16-4)

Guidance literature:

With sodium hydroxide;

Reference yield:

5-Methoxycarbonyl-furan-2-yl phenyl ketone (58972-21-7) → 5-benzyl-furan-2-carboxylic acid (1917-16-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium tetrahydroborate / methanol / 1 h / 0 °C

1.2: 0.5 h / 0 °C

2.1: sodium hydroxide / tetrahydrofuran; water / 20 °C

With sodium tetrahydroborate; sodium hydroxide; In tetrahydrofuran; methanol; water;

DOI:10.1021/acs.joc.6b01774

upstream raw materials:

methyl 5-benzyl-2-furancarboxylate

2-furoic acid methyl ester

benzyl chloride

methyl 5-(chloromethyl)-2-furoate

Refernces

• 1、 Huang, Qing-Qing,Huang, Min,Nan, Fa-Jun,Ye, Qi-Zhuang. "Metalloform-selective inhibition: Synthesis and structure-activity analysis of Mn(II)-form-selective inhibitors of Escherichia coli methionine aminopeptidase". . p. 5386 - 5391. Retrieved 2007/10/03.
• 2、 -. "Antidiabetic furancarboxylic and thiphenecarboxylic acids". . . Retrieved 2008/06/13.