2-[Difluoro(methoxy)methyl]-1,1,1,3,3,3-hexafluoropropane

Base Information

• Chemical Name: 2-[Difluoro(methoxy)methyl]-1,1,1,3,3,3-hexafluoropropane
• CAS No.: 382-26-3
• Molecular Formula: C5H4F8O
• Molecular Weight: 232.073
• Hs Code.: 2909199090
• European Community (EC) Number: 609-534-4
• DSSTox Substance ID: DTXSID40880146
• Nikkaji Number: J27.131D
• Wikidata: Q72499886
• Mol file: 382-26-3.mol

Synonyms:382-26-3;2-[difluoro(methoxy)methyl]-1,1,1,3,3,3-hexafluoropropane;Octafluoroisobutyl methyl ether;63919-03-9;1,1,3,3,3-Pentafluoro-2-trifluoromethylpropyl methyl ether;1,1,1,3,3-pentafluoro-3-methoxy-2-(trifluoromethyl)propane;ETHER, METHYL OCTAFLUOROISOBUTYL;2-(Difluoro(methoxy)methyl)-1,1,1,3,3,3-hexafluoropropane;EC 609-534-4;Propane, 2-(difluoromethoxymethyl)-1,1,1,3,3,3-hexafluoro-;Methyl 1,1,3,3,3-pentafluoro-2-(trifluoromethyl)-propyl ether;Methyl 1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propyl ether;(CF3)2CHCF2OCH3;SCHEMBL1199052;DTXSID40880146;HFE-458;MFCD00054689;AKOS015852642;LS-67866;FT-0605992;A824066;Propane, 1-methoxy-2-.ethyl-, octafluoro deriv.;2-(Methoxydifluoromethyl)-1,1,1,3,3,3-hexafluoropropane;1,1,3,3,3-Pentafluoro-2-trifluoromethyl propyl methyl ether;2-[difluoro(methoxy)methyl]-1,1,1,3,3,3-hexafluoropr= opane;2-[bis(fluoranyl)-methoxy-methyl]-1,1,1,3,3,3-hexakis(fluoranyl)propane

Chemical Property of 2-[Difluoro(methoxy)methyl]-1,1,1,3,3,3-hexafluoropropane

Chemical Property:

• Vapor Pressure: 17.05kPa at 25℃
• Refractive Index: 1.283
• Boiling Point: 22.5 °C at 760 mmHg
• PSA: 9.23000
• Density: 1.436 g/cm³
• LogP: 2.96640
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 232.01344004
• Heavy Atom Count: 14
• Complexity: 177

Purity/Quality:

99.9% ^*data from raw suppliers

Methyl1,1,3,3,3-Pentafluoro-2-(trifluoromethyl)-propylEther ^*data from reagent suppliers

Safty Information:

• Pictogram(s): TXi
• Hazard Codes: T,Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

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

Technology Process of 2-[Difluoro(methoxy)methyl]-1,1,1,3,3,3-hexafluoropropane

There total 4 articles about 2-[Difluoro(methoxy)methyl]-1,1,1,3,3,3-hexafluoropropane 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: 5.0%

1,3,3,3-tetrafluoro-1-methoxy-2-trifluoromethyl-propene (360-53-2) + acetamidine hydrochloride (124-42-5) → 1,1,1,3,3-pentafluoro-3-methoxy-2-trifluoromethylpropane (382-26-3) + 2-methyl-4-fluoro-5-trifluoromethyl-6-methoxypyrimidine (97653-57-1)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; Ambient temperature; different solvents and bases;

DOI:10.1016/S0022-1139(00)84991-X

Reference yield:

methanol (67-56-1) + perfluoroisobutylene (382-21-8) → 1,1,1,3,3-pentafluoro-3-methoxy-2-trifluoromethylpropane (382-26-3) + 1,3,3,3-tetrafluoro-1-methoxy-2-trifluoromethyl-propene (360-53-2)

Guidance literature:

analoge Reaktion mit Aethanol;

DOI:10.1021/ja01564a057 DOI:10.1021/ja01107a044

Reference yield:

methanol (67-56-1) + perfluoroisobutylene (382-21-8) → 1,1,1,3,3-pentafluoro-3-methoxy-2-trifluoromethylpropane (382-26-3)

Guidance literature:

DOI:10.1021/ja01564a057 DOI:10.1016/S0022-1139(00)80909-4

upstream raw materials:

methanol

perfluoroisobutylene

1,3,3,3-tetrafluoro-1-methoxy-2-trifluoromethyl-propene

acetamidine hydrochloride

Downstream raw materials:

methyl dimethyl 2-(trifluoromethyl)propanedioate

2-phenyl-4-fluoro-5-trifluoromethyl-6-methoxypyrimidine

Methyl fluoride

3,3,3-trifluoro-2-trifluoromethyl-propionyl fluoride

Refernces