Sixantphos

Base Information

• Chemical Name: Sixantphos
• CAS No.: 166330-11-6
• Molecular Formula: C38H32 O P2 Si
• Molecular Weight: 594.704
• DSSTox Substance ID: DTXSID901148187
• Nikkaji Number: J823.656I
• Mol file: 166330-11-6.mol

Synonyms:Sixantphos;166330-11-6;(10,10-Dimethyl-10H-dibenzo[b,e][1,4]oxasiline-4,6-diyl)bis(diphenylphosphine);SCHEMBL12446814;DTXSID901148187;AKOS015909955;1,1'-(10,10-Dimethyl-10H-phenoxasilin-4,6-diyl)bis[1,1-diphenylphosphine]

Chemical Property of Sixantphos

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 594.16976617
• Heavy Atom Count: 42
• Complexity: 738

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[Si]1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C

Technology Process of Sixantphos

There total 1 articles about Sixantphos 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: 43.0%

10,10-dimethyl-phenoxasilin (18414-62-5) + trityl chloride (76-83-5) → 4,6-bis(diphenylphosphanyl)-10,10-dimethyl-10H-dibenzo[b,e][1,4]oxasilane (166330-11-6)

Guidance literature:

10,10-dimethyl-phenoxasilin; With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In diethyl ether; at 0 - 20 ℃; for 16h; Inert atmosphere;

trityl chloride; In diethyl ether; hexane; at 0 ℃; for 16h; Inert atmosphere;

With hydrogenchloride; sodium chloride; In diethyl ether; hexane; water; Inert atmosphere;

DOI:10.1007/s10870-011-0233-1

Reference yield: 88.0%

4,6-bis(diphenylphosphanyl)-10,10-dimethyl-10H-dibenzo[b,e][1,4]oxasilane (166330-11-6) → Si(CH3)2O(C6H3P(C6H5)2)2PtCl2 (205319-12-6)

Guidance literature:

With chloro-platinum(II) compound; In tetrahydrofuran; N2 atmosphere, stirring (room temp., overnight); removement of solvent (vacuum), washing (Et2O), drying (vacuum);

DOI:10.1002/(SICI)1099-0682(199802)1998:2<155::AID-EJIC155>3.0.CO;2-T

Reference yield: 86.0%

bis(benzonitrile)palladium(II) dichloride (15617-18-2,39958-10-6,14220-64-5) + 4,6-bis(diphenylphosphanyl)-10,10-dimethyl-10H-dibenzo[b,e][1,4]oxasilane (166330-11-6) → Pd(C38H32P2OSi)Cl2 (205319-07-9)

Guidance literature:

In tetrahydrofuran; N2 atmosphere, stirring (room temp., overnight); removement of solvent (vacuum), washing (Et2O), drying (vacuum);

DOI:10.1002/(SICI)1099-0682(199802)1998:2<155::AID-EJIC155>3.0.CO;2-T

upstream raw materials:

10,10-dimethyl-phenoxasilin

trityl chloride

Downstream raw materials:

Si(CH₃)2O(C₆H₃P(C₆H₅)2)2PtCl₂

(Sixantphos)(4-cyanophenyl)bromopalladium(II)

chloro(Sixantphos)methylpalladium(II)

Pd(C₃₈H₃₂P₂OSi)Cl₂