2,2,2-Trifluoroethyl ethyl ether

Base Information

• Chemical Name: 2,2,2-Trifluoroethyl ethyl ether
• CAS No.: 461-24-5
• Molecular Formula: C4H7 F3 O
• Molecular Weight: 128.094
• Hs Code.: 2909199090
• DSSTox Substance ID: DTXSID00196715
• Nikkaji Number: J1.794.739G
• Wikidata: Q83069733
• Mol file: 461-24-5.mol

Synonyms:2,2,2-trifluoroethyl ethyl ether

Chemical Property of 2,2,2-Trifluoroethyl ethyl ether

Chemical Property:

• Vapor Pressure: 415mmHg at 25°C
• Boiling Point: 41.7°C at 760 mmHg
• PSA: 9.23000
• Density: 1.091g/cm³
• LogP: 1.58520
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 128.04489933
• Heavy Atom Count: 8
• Complexity: 58.8

Purity/Quality:

98%min ^*data from raw suppliers

2,2,2-TRIFLUOROETHYLETHYL ETHER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOCC(F)(F)F

Technology Process of 2,2,2-Trifluoroethyl ethyl ether

There total 2 articles about 2,2,2-Trifluoroethyl ethyl ether 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: 67.0%

ethanol (64-17-5) + 1,1,1-trifluoro-2-chloroethane (75-88-7) → 1,1,1,2-tetrafluoroethane (811-97-2) + 1,1,1-trifluoroethyl ethyl ether (461-24-5) + 1-Chloro-2,2-difluoroethene (359-10-4)

Guidance literature:

With potassium hydroxide; at 280 ℃; for 11h; under 45600 Torr;

DOI:10.1016/S0022-1139(01)00469-9

Reference yield:

ethanol (64-17-5) + C11H12F3N3O2 (133367-80-3) → 1,1,1-trifluoroethyl ethyl ether (461-24-5) + p-aminoethylbenzoate (94-09-7)

Guidance literature:

copper(II) ion; Rate constant; Mechanism;

Reference yield: 63.0%

nitromethane (75-52-5) + 1,1,1-trifluoroethyl ethyl ether (461-24-5) → 1,1,1-trifluoro-3-nitro-2-propanol (453-35-0)

Guidance literature:

With potassium carbonate; at 50 - 60 ℃; for 5h;

DOI:10.1246/bcsj.66.2432

upstream raw materials:

ethanol

C₁₁H₁₂F₃N₃O₂

1,1,1-trifluoro-2-chloroethane

Downstream raw materials:

1,1,1-trifluoro-3-nitro-2-propanol

Refernces

• 1、 Iley, Jim,Moreira, Rui,Rosa, Eduarda. "Triazene Drug Metabolites. Part 10. Metal-ion Catalysed Decomposition of Monoalkyltriazenes in Ethanol Solutions". . p. 81 - 86. Retrieved 2007/10/02.