Butanenitrile, 4,4,4-trifluoro-3-oxo-2-(triphenylphosphoranylidene)-

Base Information

Chemical Name:Butanenitrile, 4,4,4-trifluoro-3-oxo-2-(triphenylphosphoranylidene)-
CAS No.:81850-43-3
Molecular Formula:C22H15F3NOP
Molecular Weight:397.336
Hs Code.:
DSSTox Substance ID:DTXSID50451947
Nikkaji Number:J793.631A

Synonyms:81850-43-3;Butanenitrile, 4,4,4-trifluoro-3-oxo-2-(triphenylphosphoranylidene)-;DTXSID50451947;2-(Triphenylphosphoranylidene)-3-oxo-4,4,4-trifluorobutanenitrile

Suppliers and Price of Butanenitrile, 4,4,4-trifluoro-3-oxo-2-(triphenylphosphoranylidene)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of Butanenitrile, 4,4,4-trifluoro-3-oxo-2-(triphenylphosphoranylidene)-

Chemical Property:

XLogP3:4.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:397.08433559
Heavy Atom Count:28
Complexity:605

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)P(=C(C#N)C(=O)C(F)(F)F)(C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of Butanenitrile, 4,4,4-trifluoro-3-oxo-2-(triphenylphosphoranylidene)-

There total 3 articles about Butanenitrile, 4,4,4-trifluoro-3-oxo-2-(triphenylphosphoranylidene)- 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: 85.0%

: 354-32-5
trifluoracetyl chloride

: 16640-68-9
cyanomethylene triphenylphosphorane

: 4336-70-3
(cyanomethyl)triphenylphosphonium chloride

: 81850-43-3
4,4,4-trifluoro-3-oxo-2-(triphenylphosphoranylidene)butanenitrile

Guidance literature:: In benzene; 1.) room temp., 2 h 2.) 80 deg C, 1 h;
DOI:10.1016/S0040-4039(01)92481-5

Reference yield: 75.0%

: 15898-47-2
(cyanomethyl)triphenylphosphonium bromide

: 407-25-0
trifluoroacetic anhydride

: 81850-43-3
4,4,4-trifluoro-3-oxo-2-(triphenylphosphoranylidene)butanenitrile

Guidance literature:: (cyanomethyl)triphenylphosphonium bromide; With triethylamine; In tetrahydrofuran; at 5 ℃; for 0.583333h;

trifluoroacetic anhydride; In tetrahydrofuran; at 5 - 10 ℃; for 3h;
DOI:10.15227/orgsyn.070.0246