1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium

Base Information

• Chemical Name: 1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium
• CAS No.: 77047-91-7
• Molecular Formula: C21H15 F6 O P
• Molecular Weight: 427.2989
• NSC Number: 354405
• DSSTox Substance ID: DTXSID70422659
• Nikkaji Number: J1.601.836H,J2.102.792H
• Wikidata: Q82234629
• Mol file: 77047-91-7.mol

Synonyms:77047-91-7;NSC354405;DTXSID70422659;1,1-diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium;NSC-354405;1,1-Diphenyl-3,3-bis(trifluoromethyl)-1,3-dihydro-1H,1H-2,1-benzoxaphosphole;1,1-Diphenyl-3,3-bis(trifluoromethyl)-1,3-dihydro-2,1-benzooxaphosphole-1-ium;2,1-Benzoxaphospholium, 1,3-dihydro-1,1-diphenyl-3,3-bis(trifluoromethyl)-

Chemical Property of 1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 427.06864604
• Heavy Atom Count: 29
• Complexity: 545

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)[P+]2(C3=CC=CC=C3C(O2)(C(F)(F)F)C(F)(F)F)C4=CC=CC=C4

Technology Process of 1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium

There total 2 articles about 1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium 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: 80.0%

2-(diphenylphosphinyl)-α,α-bis(trifluoromethyl)benzenemethanol (76995-69-2) → 1,1-Diphenyl-3,3-bis-trifluoromethyl-2-oxa-1λ5-phospha-indan (77047-91-7)

Guidance literature:

With trichlorosilane;

DOI:10.1021/ja00395a049

Reference yield:

C21H14F6OP(1-)*Li(1+) (77047-92-8) → 1,1-Diphenyl-3,3-bis-trifluoromethyl-2-oxa-1λ5-phospha-indan (77047-91-7)

Guidance literature:

With ethyl acetoacetate;

DOI:10.1021/ja00395a049

Reference yield: 100.0%

1,1-Diphenyl-3,3-bis-trifluoromethyl-2-oxa-1λ5-phospha-indan (77047-91-7) → 2-(diphenylphosphinyl)-α,α-bis(trifluoromethyl)benzenemethanol (76995-69-2)

Guidance literature:

With tert-butylhypochlorite;

DOI:10.1021/ja00395a049

upstream raw materials:

2-(diphenylphosphinyl)-α,α-bis(trifluoromethyl)benzenemethanol

C₂₁H₁₄F₆OP^(1-)*Li⁽¹⁺⁾

Downstream raw materials:

2-(2-Diphenylphosphanyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol

2-(diphenylphosphinyl)-α,α-bis(trifluoromethyl)benzenemethanol