4-(Tridecafluorohexyl)phenyldiphenylphosphine

Base Information

• Chemical Name: 4-(Tridecafluorohexyl)phenyldiphenylphosphine
• CAS No.: 201936-63-2
• Molecular Formula: C₂₄H₁₄F₁₃P
• Molecular Weight: 580.328
• DSSTox Substance ID: DTXSID201022956
• Nikkaji Number: J916.236D
• Mol file: 201936-63-2.mol

Synonyms:DTXSID201022956;4-(Tridecafluorohexyl)phenyldiphenylphosphine;Diphenyl[4-(tridecafluorohexyl)phenyl]phosphine;201936-63-2

Chemical Property of 4-(Tridecafluorohexyl)phenyldiphenylphosphine

Chemical Property:

• XLogP3: 8.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 8
• Exact Mass: 580.0625536
• Heavy Atom Count: 38
• Complexity: 757

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Technology Process of 4-(Tridecafluorohexyl)phenyldiphenylphosphine

There total 7 articles about 4-(Tridecafluorohexyl)phenyldiphenylphosphine 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: 97.0%

(4-perfluorohexylphenyl)diphenylphosphine oxide → (4-perfluorohexylphenyl)diphenylphosphine (201936-63-2)

Guidance literature:

With trichlorosilane; triethylamine; In toluene; for 6h; Heating;

DOI:10.1016/S0040-4039(00)00445-7

Reference yield: 65.0%

chloro-diphenylphosphine (1079-66-9,74391-44-9) + 4-(tridecafluoro-n-hexyl)bromobenzene (149068-56-4) → (4-perfluorohexylphenyl)diphenylphosphine (201936-63-2)

Guidance literature:

With n-butyllithium; In diethyl ether; hexane; 1.) -78 deg C, 1 h, 2.) -78 deg C to r.t., 12 h;

DOI:10.1039/a704872f

Reference yield:

n-perfluorohexyl iodide (355-43-1) → (4-perfluorohexylphenyl)diphenylphosphine (201936-63-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / Cu; 2,2'-bipyridine / dimethylsulfoxide; various solvent(s) / 24 h / Heating

2: 97 percent / HSiCl₃; NEt₃ / toluene / 6 h / 120 °C

With [2,2]bipyridinyl; trichlorosilane; copper; triethylamine; In dimethyl sulfoxide; toluene;

DOI:10.1016/S0040-4020(02)00213-2

upstream raw materials:

chloro-diphenylphosphine

4-(tridecafluoro-n-hexyl)bromobenzene

n-perfluorohexyl iodide

(4-bromophenyl)diphenylphosphine oxide

Downstream raw materials:

[RhCl₂(C₅(CH₃)5)(P(C₆H₅)2C₆H₄C₆F₁₃)]