2-Methyl-5-phenyl-furan-3-carboxylic acid ethyl ester

Base Information

• Chemical Name: 2-Methyl-5-phenyl-furan-3-carboxylic acid ethyl ester
• CAS No.: 29113-64-2
• Molecular Formula: C14H14 O3
• Molecular Weight: 230.263
• DSSTox Substance ID: DTXSID50438238
• Nikkaji Number: J2.419.357H
• Wikidata: Q82253904
• Mol file: 29113-64-2.mol

Synonyms:29113-64-2;2-Methyl-5-phenyl-furan-3-carboxylic acid ethyl ester;ethyl 2-methyl-5-phenylfuran-3-carboxylate;ethyl 2-methyl-5-phenyl-3-furoate;3-Furancarboxylic acid, 2-methyl-5-phenyl-, ethyl ester;Ethyl-2-methyl-5-phenyl-3-furanecarboxylate;SCHEMBL3100114;DTXSID50438238;GFYBATGIZAOPJC-UHFFFAOYSA-N;MFCD06204536;AKOS015906769;AS-6247;ethyl 2-methyl-5-phenyl-3-furancarboxylate;CS-0361462;2-Methyl-5-phenyl-furan-3-carboxylicacidethylester;2-Methyl-5-phenylfuran-3-carboxylic acid ethyl ester

Chemical Property of 2-Methyl-5-phenyl-furan-3-carboxylic acid ethyl ester

Chemical Property:

• Boiling Point: 330.7±30.0 °C(Predicted)
• PSA: 39.44000
• Density: 1.106±0.06 g/cm3(Predicted)
• LogP: 3.43170
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 230.094294304
• Heavy Atom Count: 17
• Complexity: 258

Purity/Quality:

98%min ^*data from raw suppliers

2-Methyl-5-phenyl-furan-3-carboxylicacidethylester 95%+ ^*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)C

Technology Process of 2-Methyl-5-phenyl-furan-3-carboxylic acid ethyl ester

There total 33 articles about 2-Methyl-5-phenyl-furan-3-carboxylic acid ethyl ester 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: 100.0%

2-methyl-5-phenyl-furan-3-carboxylic acid (108124-17-0) + ethyl iodide (75-03-6) → ethyl 2-methyl-5-phenylfuran-3-carboxylate (29113-64-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

Reference yield: 95.0%

ethyl acetoacetate (141-97-9) + 1-Bromo-2-phenylacetylene (932-87-6) → ethyl 2-methyl-5-phenylfuran-3-carboxylate (29113-64-2)

Guidance literature:

With silver carbonate; cobalt(II) chloride; In toluene; at 80 ℃; for 5h;

DOI:10.1002/adsc.201400857

Reference yield: 95.0%

ethyl 5-acetamido-2-methyl-5-phenyl-4,5-dihydrofuran-3-carboxylate → ethyl 2-methyl-5-phenylfuran-3-carboxylate (29113-64-2)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; at 100 ℃; for 2h;

DOI:10.1021/ol503009f

upstream raw materials:

α-Phenacyl-acetessigsaeure-aethylester

4-methyleneoxetan-2-one

trimethyl(1-phenylvinyl)silane

oxovanadium(V) ethoxydichloride

Downstream raw materials:

ethyl 2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

ethyl 2-methyl-5-phenylthiophene-3-carboxylate

3-(hydroxymethyl)-2-methyl-5-phenylfuran

2-methyl-5-phenyl-furan-3-carboxylic acid