9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene

Base Information

• Chemical Name: 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene
• CAS No.: 856405-77-1
• Molecular Formula: C₃₁H₄₈OP₂
• Molecular Weight: 498.669
• European Community (EC) Number: 894-633-7
• DSSTox Substance ID: DTXSID50584820
• Nikkaji Number: J2.474.012I
• Wikidata: Q72445560
• Mol file: 856405-77-1.mol

Synonyms:856405-77-1;9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene;t-Bu-Xantphos;(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(di-tert-butylphosphine);4,5-Bis(di-tert-butylphosphino)-9,9-dimethylxanthene;ditert-butyl-(5-ditert-butylphosphanyl-9,9-dimethylxanthen-4-yl)phosphane;9,9-DIMETHYL-4,5-BIS(DI-T-BUTYLPHOSPHINO)XANTHENE;DI-TERT-BUTYL[5-(DI-TERT-BUTYLPHOSPHANYL)-9,9-DIMETHYL-9H-XANTHEN-4-YL]PHOSPHANE;9,9-Dimethyl-4,5-bis(di -tert-butylphosphino) -9H-xanthene;t-Butyl-Xantphos;SCHEMBL1315091;C31H48OP2;DTXSID50584820;AMY11714;AKOS022173533;CS-W009619;AS-71333;F10225;EN300-7358813;A863500;4,5-bis(di-t-butylphosphino)-9,9-dimethylxanthene;Y-200028;9,9-Dimethyl-4,5-bis(di-t-butylphosphino)xanthene, min. 97%;9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene, 97%;(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(di-tert-butylphosphane);9,9-DiMethyl-4,5-bis(di-t-butylphosphino)xanthene t-Bu-XANTPHOS

Chemical Property of 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene

Chemical Property:

• Melting Point: 153-157℃
• Boiling Point: 563.1±50.0 °C(Predicted)
• PSA: 36.41000
• LogP: 9.52660
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 498.31804015
• Heavy Atom Count: 34
• Complexity: 613

Purity/Quality:

97% ^*data from raw suppliers

9,9-Dimethyl-4,5-bis(di-t-butylphosphino)xanthene, min. 97% t-Bu-XANTPHOS ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2=C(C(=CC=C2)P(C(C)(C)C)C(C)(C)C)OC3=C1C=CC=C3P(C(C)(C)C)C(C)(C)C)C

Technology Process of 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene

There total 1 articles about 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene 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: 38.0%

9,9-dimethylxanthene (19814-75-6) + di(tert-butyl)chlorophosphine (13716-10-4) → 4,5-bis-(di-tert-butyl-phosphanyl)-9,9-dimethyl-9H-xanthene (856405-77-1)

Guidance literature:

9,9-dimethylxanthene; With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In hexane; n-heptane; at 20 ℃; for 15h;

di(tert-butyl)chlorophosphine; In hexane; n-heptane; at 60 ℃; for 24h;

DOI:10.1016/j.tet.2005.03.078

upstream raw materials:

9,9-dimethylxanthene

di(tert-butyl)chlorophosphine