bis((Perfluoropropyl)methyl) phosphorochloridoate

Base Information

• Chemical Name: bis((Perfluoropropyl)methyl) phosphorochloridoate
• CAS No.: 6780-81-0
• Molecular Formula: C₈H₄ClF₁₄O₃P
• Molecular Weight: 480.522
• DSSTox Substance ID: DTXSID10896991
• Wikidata: Q81987891
• Mol file: 6780-81-0.mol

Synonyms:bis((Perfluoropropyl)methyl) phosphorochloridoate;6780-81-0;DTXSID10896991;BBXKVTNUHGNTHE-UHFFFAOYSA-N;NS00109456

Chemical Property of bis((Perfluoropropyl)methyl) phosphorochloridoate

Chemical Property:

• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 8
• Exact Mass: 479.9363029
• Heavy Atom Count: 27
• Complexity: 524

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C(C(C(F)(F)F)(F)F)(F)F)OP(=O)(OCC(C(C(F)(F)F)(F)F)(F)F)Cl

Technology Process of bis((Perfluoropropyl)methyl) phosphorochloridoate

There total 2 articles about bis((Perfluoropropyl)methyl) phosphorochloridoate 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: 60.3%

2,2,3,3,4,4,4-heptafluorobutanol (375-01-9) → tris(1,1-dihydroperfluorobutyl) phosphate (563-09-7) + 2,2,3,3,4,4,4-heptafluorobutyl phosphorodichloridate (30787-77-0) + bis(1,1-dihydroperfluorobutyl) chlorophosphate (6780-81-0)

Guidance literature:

With lithium chloride; trichlorophosphate; for 1.5h; bath temperature 150 - 170 deg C;

DOI:10.1007/BF00958399

Reference yield: 55.0%

2,2,3,3,4,4,4-heptafluorobutanol (375-01-9) → tris(1,1-dihydroperfluorobutyl) phosphate (563-09-7) + bis(1,1-dihydroperfluorobutyl) chlorophosphate (6780-81-0)

Guidance literature:

With lithium chloride; trichlorophosphate; at 105 ℃; for 0.5h;

Reference yield: 84.0%

1-phenyl-2,2,2-trifluoromethylethanol (340-04-5,340-05-6) + bis(1,1-dihydroperfluorobutyl) chlorophosphate (6780-81-0) → Phosphoric acid bis-(2,2,3,3,4,4,4-heptafluoro-butyl) ester 2,2,2-trifluoro-1-phenyl-ethyl ester (100664-09-3)

Guidance literature:

calcium chloride; at 200 ℃; for 4h;

DOI:10.1007/BF00960347

upstream raw materials:

2,2,3,3,4,4,4-heptafluorobutanol

Downstream raw materials:

Phosphoric acid bis-(2,2,3,3,4,4,4-heptafluoro-butyl) ester 2,2,2-trifluoro-1-phenyl-ethyl ester