Ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate

Base Information

• Chemical Name: Ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate
• CAS No.: 17515-73-0
• Molecular Formula: C₉H₉F₃O₃
• Molecular Weight: 222.164
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID90371913
• Wikidata: Q82159442
• Mol file: 17515-73-0.mol

Synonyms:17515-73-0;ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate;Ethyl 5-methyl-2-(trifluoromethyl)-3-furoate;3-Furancarboxylic acid,5-methyl-2-(trifluoromethyl)-, ethyl ester;Ethyl5-methyl-2-(trifluoromethyl)furan-3-carboxylate;SCHEMBL2280370;DTXSID90371913;3-Furancarboxylic acid, 5-methyl-2-(trifluoromethyl)-, ethyl ester;MFCD00275564;AKOS015912129;FS-1166;SB61166;AM807533;ethyl 2-trifluoromethyl-5-methyl-3-furoate;CS-0061544;FT-0626130;A811805;ethyl 2-trifluoromethyl-5-methyl-3-furancarboxylate;ETHYL5-METHYL-2-(TRIFLUOROMETHYL)-3-FUROATE;ethyl 5-methyl-2-(trifluoromethyl)-3-furancarboxylate;5-methyl-2-trifluoromethyl-furan-3-carboxylic acid ethyl ester

Chemical Property of Ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate

Chemical Property:

• Boiling Point: 244.3°Cat760mmHg
• Flash Point: 101.5°C
• PSA: 39.44000
• Density: 1.259g/cm³
• LogP: 2.78350
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 222.05037863
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

97% ^*data from raw suppliers

Ethyl5-methyl-2-(trifluoromethyl)-3-furoate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate

There total 3 articles about Ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate 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: 93.0%

ethyl 5-iodomethyl-2-trifluoromethyl-4,5-dihydrofuran-3-carboxylate → ethyl 5-methyl-2-trifluoromethylfuran-3-carboxylate (17515-73-0)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In benzene; for 1h; Heating;

Reference yield: 70.0%

ethyl 4-oxo-2-(2,2,2-trifluoroacetyl)pentanoate (17515-66-1) → ethyl 5-methyl-2-trifluoromethylfuran-3-carboxylate (17515-73-0)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; Heating / reflux;

Reference yield:

ethyl 2-hydroxy-5-iodomethyl-2-trifluoromethylfuran-3-carboxylate → ethyl 5-methyl-2-trifluoromethylfuran-3-carboxylate (17515-73-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 52 percent / P₂O₅ / pentane; CH₂Cl₂ / 72 h / Ambient temperature

2: 93 percent / DBU / benzene / 1 h / Heating

With phosphorus pentoxide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; pentane; benzene;

upstream raw materials:

ethyl 4-oxo-2-(2,2,2-trifluoroacetyl)pentanoate

Downstream raw materials:

2-trifluoromethyl-5-methyl-3-furancarboxylic acid

[2-(trifluoromethyl)-5-methylfur-3-yl]methanol