Oxo-phenyl-[3-(trifluoromethyl)phenyl]phosphanium

Base Information

• Chemical Name: Oxo-phenyl-[3-(trifluoromethyl)phenyl]phosphanium
• CAS No.: 1643-92-1
• Molecular Formula: C₁₃H₁₀F₃OP
• Molecular Weight: 270.191
• NSC Number: 77601
• DSSTox Substance ID: DTXSID40422560
• Wikidata: Q82234508
• Mol file: 1643-92-1.mol

Synonyms:1643-92-1;NSC77601;oxo-phenyl-[3-(trifluoromethyl)phenyl]phosphanium;DTXSID40422560;NSC-77601

Chemical Property of Oxo-phenyl-[3-(trifluoromethyl)phenyl]phosphanium

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 269.03431139
• Heavy Atom Count: 18
• Complexity: 297

Purity/Quality:

99% ^*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+](=O)C2=CC=CC(=C2)C(F)(F)F

Technology Process of Oxo-phenyl-[3-(trifluoromethyl)phenyl]phosphanium

There total 3 articles about Oxo-phenyl-[3-(trifluoromethyl)phenyl]phosphanium 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:

(diethylamino)phenylchlorophosphine (4073-31-8) → 3-trifluoromethylphenyl(phenyl)phosphine oxide (1643-92-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / hexane; tetrahydrofuran / 0.5 h / -78 °C / Inert atmosphere

1.2: -78 - 25 °C / Inert atmosphere

2.1: water; hydrogenchloride / toluene / 0 - 25 °C

With hydrogenchloride; n-butyllithium; water; In tetrahydrofuran; hexane; toluene;

DOI:10.1021/acs.joc.1c01364

Reference yield:

Dichlorophenylphosphine (644-97-3) → 3-trifluoromethylphenyl(phenyl)phosphine oxide (1643-92-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: pyridine / hexane / 0.17 h / 25 °C / Inert atmosphere

1.2: 3 h / Inert atmosphere; Reflux

2.1: n-butyllithium / hexane; tetrahydrofuran / 0.5 h / -78 °C / Inert atmosphere

2.2: -78 - 25 °C / Inert atmosphere

3.1: water; hydrogenchloride / toluene / 0 - 25 °C

With pyridine; hydrogenchloride; n-butyllithium; water; In tetrahydrofuran; hexane; toluene;

DOI:10.1021/acs.joc.1c01364

Reference yield:

→ 3-trifluoromethylphenyl(phenyl)phosphine oxide (1643-92-1)

Guidance literature:

-phenyl-chlorphosphin, Hydrolyse in W.;

upstream raw materials:

(diethylamino)phenylchlorophosphine

Dichlorophenylphosphine

Refernces