2-Phenyl-3-carbethoxyfuran

Base Information

• Chemical Name: 2-Phenyl-3-carbethoxyfuran
• CAS No.: 50626-02-3
• Molecular Formula: C13H12 O3
• Molecular Weight: 216.236
• Hs Code.: 2932190090
• European Community (EC) Number: 256-663-3
• UNII: 2JCY5NG0OR
• DSSTox Substance ID: DTXSID6068563
• Nikkaji Number: J261.564I
• Wikidata: Q27254821
• Metabolomics Workbench ID: 48021
• Mol file: 50626-02-3.mol

Synonyms:2-Phenyl-3-carbethoxyfuran;50626-02-3;ethyl 2-phenylfuran-3-carboxylate;Ethyl 2-phenyl-3-furoate;Ethyl 2-phenyl-3-furancarboxylate;FEMA No. 3468;3-Furancarboxylic acid, 2-phenyl-, ethyl ester;EINECS 256-663-3;UNII-2JCY5NG0OR;2JCY5NG0OR;2-phenyl-3-carbethoxy furan;PHENYL OXAROMATE 681;SCHEMBL3504414;DTXSID6068563;FEMA 3468;ethyl 2-phenyluran-3-carboxylate;CHEBI:174095;2-Benzothiazolamine,N-butyl-(9CI);2-PHENYL-3-CARBETHOXYFURAN [FHFI];LS-179715;2-Phenyl-3-furancarboxylic acid ethyl ester;Q27254821

Chemical Property of 2-Phenyl-3-carbethoxyfuran

Chemical Property:

• Vapor Pressure: 0.000134mmHg at 25°C
• Boiling Point: 333.8°C at 760 mmHg
• Flash Point: 155.7°C
• PSA: 39.44000
• Density: 1.126g/cm³
• LogP: 3.12330
• XLogP3: 2.9
• 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

2-PHENYL-3-CARBETHOXYFURAN 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Phenyl-3-carbethoxyfuran

There total 18 articles about 2-Phenyl-3-carbethoxyfuran 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: 78.0%

2-Phenyl-5-phenylsulfanyl-4,5-dihydro-furan-3-carboxylic acid ethyl ester (141764-79-6) → ethyl 2-phenylfuran-3-carboxylate (50626-02-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 2h; Ambient temperature;

Reference yield: 77.0%

ethyl 2-diazo-3-oxo-3-phenylpropanoate (28383-65-5) + ethyl vinyl ether (109-92-2,25104-37-4) → ethyl 2-phenylfuran-3-carboxylate (50626-02-3)

Guidance literature:

With dirhodium tetraacetate; In 1,2-dichloro-ethane; at 20 - 80 ℃; for 8h; Inert atmosphere;

DOI:10.1016/j.tet.2017.04.007

Reference yield: 76.0%

vinyl acetate (108-05-4,9003-20-7) + ethyl 2-diazo-3-oxo-3-phenylpropanoate (28383-65-5) → ethyl 2-phenylfuran-3-carboxylate (50626-02-3)

Guidance literature:

With dirhodium tetraacetate; In 1,2-dichloro-ethane; at 20 - 80 ℃; for 8h; Inert atmosphere;

DOI:10.1016/j.tet.2017.04.007

upstream raw materials:

2-Phenyl-5-phenylsulfanyl-4,5-dihydro-furan-3-carboxylic acid ethyl ester

2-Benzoyl-4-bromo-3-ethoxy-butyric acid ethyl ester

1,2-dichloro-2-ethoxyethane

ethyl 3-oxo-3-phenylpropionate

Downstream raw materials:

2-phenyl-3-furoic acid