2,2-Difluoro-1-phenylethenyl diethyl phosphate

Base Information

• Chemical Name: 2,2-Difluoro-1-phenylethenyl diethyl phosphate
• CAS No.: 89264-19-7
• Molecular Formula: C12H15F2O4P
• Molecular Weight: 292.219
• DSSTox Substance ID: DTXSID20531240
• Nikkaji Number: J2.539.664B
• Mol file: 89264-19-7.mol

Synonyms:89264-19-7;2,2-Difluoro-1-phenylethenyl diethyl phosphate;DTXSID20531240

Chemical Property of 2,2-Difluoro-1-phenylethenyl diethyl phosphate

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 292.06760228
• Heavy Atom Count: 19
• Complexity: 340

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(OCC)OC(=C(F)F)C1=CC=CC=C1

Technology Process of 2,2-Difluoro-1-phenylethenyl diethyl phosphate

There total 4 articles about 2,2-Difluoro-1-phenylethenyl diethyl phosphate 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: 96.0%

diethyl benzoylphosphonate (3277-27-8) + (trifluoromethyl)trimethylsilane (81290-20-2) → C15H24F3O4PSi + 2,2-difluoro-1-phenylethenyl diethyl phosphate (89264-19-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/jo070913c

Reference yield: 79.0%

2-chloro-2,2-difluoroacetophenone (384-67-8) + phosphonic acid diethyl ester (762-04-9) → 2,2-difluoro-1-phenylethenyl diethyl phosphate (89264-19-7)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 24h; Heating;

DOI:10.1016/S0022-1139(00)83035-3

Reference yield: 39.0%

2,2,2-Trifluoroacetophenone (434-45-7) + phosphonic acid diethyl ester (762-04-9) → 2,2-difluoro-1-phenylethenyl diethyl phosphate (89264-19-7)

Guidance literature:

With sodium hexamethyldisilazane; In tetrahydrofuran; diethyl ether; at 0 - 20 ℃; for 16h; Inert atmosphere;

DOI:10.1021/acs.orglett.9b00566

upstream raw materials:

2-chloro-2,2-difluoroacetophenone

phosphonic acid diethyl ester

diethyl benzoylphosphonate

(trifluoromethyl)trimethylsilane

Downstream raw materials:

2,2-difluoro-1-phenylethanone

Phosphoric acid diethyl ester (Z)-2-fluoro-1-phenyl-hex-1-enyl ester