Diethyl (1,1,1,3,3,3-hexafluoropropan-2-yl)phosphonate

Base Information

• Chemical Name: Diethyl (1,1,1,3,3,3-hexafluoropropan-2-yl)phosphonate
• CAS No.: 80982-76-9
• Molecular Formula: C7H11F6O3P
• Molecular Weight: 288.127
• DSSTox Substance ID: DTXSID10509079
• Mol file: 80982-76-9.mol

Synonyms:80982-76-9;Diethyl (1,1,1,3,3,3-hexafluoropropan-2-yl)phosphonate;DTXSID10509079;Phosphonic acid, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-, diethyl ester

Chemical Property of Diethyl (1,1,1,3,3,3-hexafluoropropan-2-yl)phosphonate

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 288.03500018
• Heavy Atom Count: 17
• Complexity: 262

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOP(=O)(C(C(F)(F)F)C(F)(F)F)OCC

Technology Process of Diethyl (1,1,1,3,3,3-hexafluoropropan-2-yl)phosphonate

There total 6 articles about Diethyl (1,1,1,3,3,3-hexafluoropropan-2-yl)phosphonate 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:

hexafluoroisopropylidenetriethoxyphosphorane (1540-04-1) + acetic anhydride (108-24-7) → diethyl fluorophosphate (358-74-7) + acetyl fluoride (557-99-3) + ethyl acetate (141-78-6) + diethyl ester of α-hydrohexafluoroisopropylphosphonic acid (80982-76-9) + diethyl ester of α-ethylhexafluoroisopropylphosphonic acid

Guidance literature:

at 90 - 100 ℃; for 18h;

DOI:10.1007/BF00948997

Reference yield:

Acetyl bromide (506-96-7) + hexafluoroisopropylidenetriethoxyphosphorane (1540-04-1) → ethyl bromide (74-96-4) + acetyl fluoride (557-99-3) + 1,1-bis(trifluoromethyl)allene (36319-84-3) + diethyl ester of pentafluoroisopropenylphosphonic acid (80982-75-8) + diethyl ester of α-hydrohexafluoroisopropylphosphonic acid (80982-76-9) + (2-Oxo-1,1-bis-trifluoromethyl-propyl)-phosphonic acid diethyl ester

Guidance literature:

at 20 ℃; for 96h;

DOI:10.1007/BF00948997

Reference yield:

hexafluoroisopropylidenetriethoxyphosphorane (1540-04-1) + benzoyl chloride (98-88-4) → benzoyl fluoride (455-32-3) + diethyl ester of α-hydrohexafluoroisopropylphosphonic acid (80982-76-9)

Guidance literature:

at 90 - 100 ℃; for 11h;

DOI:10.1007/BF00948997

upstream raw materials:

Acetyl bromide

hexafluoroisopropylidenetriethoxyphosphorane

acetyl fluoride

acetic anhydride