1,1,1,3,3-Pentafluoro-2-(fluoromethoxy)-3-methoxypropane

Base Information

• Chemical Name: 1,1,1,3,3-Pentafluoro-2-(fluoromethoxy)-3-methoxypropane
• CAS No.: 58109-33-4
• Molecular Formula: C5H6 F6 O2
• Molecular Weight: 212.09
• DSSTox Substance ID: DTXSID00973689
• Nikkaji Number: J697.147D
• Mol file: 58109-33-4.mol

Synonyms:1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane;fluoromethyl 2-methoxy-2,2-difluoro-1-(trifluoromethyl)ethyl ether;FMDTEE

Chemical Property of 1,1,1,3,3-Pentafluoro-2-(fluoromethoxy)-3-methoxypropane

Chemical Property:

• Vapor Pressure: 38mmHg at 25°C
• Boiling Point: 103°Cat760mmHg
• Flash Point: 21.6°C
• PSA: 18.46000
• Density: 1.351g/cm³
• LogP: 2.10010
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 212.02719840
• Heavy Atom Count: 13
• Complexity: 156

Purity/Quality:

≥99% ^*data from raw suppliers

1,1,1,3,3-Pentafluoro-2-(fluoromethoxy)-3-methoxy-propane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(C(C(F)(F)F)OCF)(F)F
• Uses: 1,1,1,3,3-Pentafluoro-2-(fluoromethoxy)-3-methoxy-propane is fluorinated diether derivative of anestehtic sevoflurane treated with bromine trifluoride. 1,1,1,3,3-Pentafluoro-2-(fluoromethoxy)-3-methoxy-propane is a sedative/hypnotic in animal when administered I.V.

Technology Process of 1,1,1,3,3-Pentafluoro-2-(fluoromethoxy)-3-methoxypropane

There total 4 articles about 1,1,1,3,3-Pentafluoro-2-(fluoromethoxy)-3-methoxypropane 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: 22.5%

sodium methylate (124-41-4) + fluoromethyl-2,2-difluoro-1-(trifluoromethyl)vinyl ether (58109-34-5) → 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane (58109-33-4) + fluoromethyl 1-methoxy-1,3,3,3-tetrafluoro-2-propenyl ether (111607-91-1)

Guidance literature:

at 0 ℃; for 1h;

DOI:10.1016/S0022-1139(00)84149-4

Reference yield:

sevoflurane (28523-86-6) + sodium methylate (124-41-4) → 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane (58109-33-4)

Guidance literature:

In methanol; 1.) 15-22 deg C, 45 min; 2.) RT 1 3/4 h; 3.) reflux, 2 h;

DOI:10.1016/S0022-1139(00)84149-4

Reference yield:

sevoflurane (28523-86-6) + sodium methylate (124-41-4) → 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane (58109-33-4) + fluoromethyl 1-methoxy-1,3,3,3-tetrafluoro-2-propenyl ether (111607-91-1)

Guidance literature:

at 35 - 40 ℃; for 0.5h; Yields of byproduct given;

DOI:10.1016/S0022-1139(00)84149-4

upstream raw materials:

sevoflurane

sodium methylate

fluoromethyl-2,2-difluoro-1-(trifluoromethyl)vinyl ether

Refernces

• 1、 Huang, Chialang,Venturella, Vincent s.,Cholli, Ashok L.,Venutolo, Felicia M.,Silbermann, Adrea T,,Vernice, Gerald G.. "DETAILED INVESTIGATION OF FLUOROMETHYL 1,1,1,3,3,3-HEXAFLUORO-2-PROPYL ETHER (SEVOFLURANE) AND ITS DEGRADATION PRODUCTS. PART I: SYNTHESIS OF FLUORINATED, SODA LIME INDUCED DEGRADATION PRODUCTS". . p. 239 - 254. Retrieved 2007/10/02.