5-Methyl-3-(trifluoromethyl)oxolan-2-one

Base Information

• Chemical Name: 5-Methyl-3-(trifluoromethyl)oxolan-2-one
• CAS No.: 139547-12-9
• Molecular Formula: C₆H₇F₃O₂
• Molecular Weight: 168.116
• Hs Code.: 29322985
• European Community (EC) Number: 630-789-2
• DSSTox Substance ID: DTXSID70370080
• Mol file: 139547-12-9.mol

Synonyms:139547-12-9;5-methyl-3-(trifluoromethyl)oxolan-2-one;5-Methyl-3-(trifluoromethyl)dihydrofuran-2(3H)-one;4-Hydroxy-2-trifluoromethylpentanoic acid lactone;gamma-methyl-alpha-(trifluoromethyl)-gamma-butyrolactone;SCHEMBL12934448;DTXSID70370080;QYTOOVCITOVYEL-UHFFFAOYSA-N;MFCD00798460;AKOS006222295;2-trifluoromethyl-4-methyl-4-butanolide;FT-0626800;A807557

Chemical Property of 5-Methyl-3-(trifluoromethyl)oxolan-2-one

Chemical Property:

• Vapor Pressure: 0.636mmHg at 25°C
• Refractive Index: n20/D 1.385(lit.)
• Boiling Point: 187.2°Cat760mmHg
• Flash Point: 77.6°C
• PSA: 26.30000
• Density: 1.299g/cm³
• LogP: 1.50030
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 168.03981395
• Heavy Atom Count: 11
• Complexity: 175

Purity/Quality:

97% ^*data from raw suppliers

α-(Trifluoromethyl)-γ-valerolactone, mixture of cis and trans AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(C(=O)O1)C(F)(F)F

Technology Process of 5-Methyl-3-(trifluoromethyl)oxolan-2-one

There total 5 articles about 5-Methyl-3-(trifluoromethyl)oxolan-2-one 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: 90.0%

(E/Z)-methyl 4-oxo-2-(trifluoromethyl)pent-2-enoate (21018-80-4,21018-81-5) → 2-trifluoromethyl-4-methyl-4-butanolide (139547-12-9)

Guidance literature:

With zinc(II) tetrahydroborate; In diethyl ether; at 20 ℃; for 8h;

DOI:10.1016/S0022-1139(01)00543-7

Reference yield: 77.0%

ethanol (64-17-5) + trifluoromethyacrylic acid (381-98-6) → 2-trifluoromethyl-4-methyl-4-butanolide (139547-12-9)

Guidance literature:

for 20h; Irradiation;

DOI:10.1039/p19960000147

Reference yield:

(S)-(-)-(2-Trifluoromethyl)-4-pentenoic acid (93885-13-3) → 2-trifluoromethyl-4-methyl-4-butanolide (139547-12-9)

Guidance literature:

With fluorosulphonic acid; In trifluoroacetic acid; for 2h; Heating;

DOI:10.1007/BF00959719

upstream raw materials:

(S)-(-)-(2-Trifluoromethyl)-4-pentenoic acid

2-trifluoromethyl-4-pentenoic acid methyl ester

ethanol

trifluoromethyacrylic acid