1,1,1,2,3,3-Hexafluoro-4-methoxybutane

Base Information

• Chemical Name: 1,1,1,2,3,3-Hexafluoro-4-methoxybutane
• CAS No.: 58705-93-4
• Molecular Formula: C5H6 F6 O
• Molecular Weight: 196.092
• European Community (EC) Number: 261-399-7
• DSSTox Substance ID: DTXSID00871439
• Nikkaji Number: J297.007D
• Mol file: 58705-93-4.mol

Synonyms:1,1,1,2,3,3-Hexafluoro-4-methoxybutane;58705-93-4;EINECS 261-399-7;C5H6F6O;SCHEMBL1590734;DTXSID00871439;C5-H6-F6-O;2,2,3,4,4,4-Hexafluorobutylmethyl ether

Chemical Property of 1,1,1,2,3,3-Hexafluoro-4-methoxybutane

Chemical Property:

• Vapor Pressure: 136mmHg at 25°C
• Boiling Point: 71.3°Cat760mmHg
• Flash Point: 2°C
• PSA: 9.23000
• Density: 1.302g/cm³
• LogP: 2.16850
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 196.03228378
• Heavy Atom Count: 12
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

2,2,3,4,4,4-Hexafluorobutyl methyl ether ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC(C(C(F)(F)F)F)(F)F

Technology Process of 1,1,1,2,3,3-Hexafluoro-4-methoxybutane

There total 2 articles about 1,1,1,2,3,3-Hexafluoro-4-methoxybutane 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: 68.0%

perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) + Dimethyl ether (115-10-6,157621-61-9) → 2,2,3,4,4,4-hexafluorobutyl methyl ether (58705-93-4)

Guidance literature:

at 18 ℃; Irradiation;

Reference yield:

→ 2,2,3,4,4,4-hexafluorobutyl methyl ether (58705-93-4)

Guidance literature:

2,2,3,4,4,4-Hexafluorbutan-1-ol, Me2SO4, KOH, H2O (S. 128);

DOI:10.1016/S0022-1139(00)81081-7

Reference yield: 81.0%

2,2,3,4,4,4-hexafluorobutyl methyl ether (58705-93-4) → 2,2,3,4,4,4-hexafluoro-1-butanol (382-31-0) + 1-bromo-2,2,3,4,4,4-hexafluorobutyl methyl ether (104724-98-3)

Guidance literature:

With bromine; In carbon disulfide; for 72h; Product distribution; Irradiation; further solvents: none; solvent dependence of product distribution investigated; regioselectivity of addition investigated;

DOI:10.1016/S0022-1139(00)80891-X

upstream raw materials:

perfluoropropylene

Dimethyl ether

Downstream raw materials:

2,2,3,4,4,4-hexafluoro-1-butanol

2,2,3,4,4,4-hexafluorobutyl difluoromethyl ether

2,2,3,4,4,4-hexafluorobutyl formate

2,2,3,4,4,4-hexafluorobutyl fluoromethyl ether

Refernces