Di-tert-butyl(diphenylmethyl)phosphane

Base Information

• Chemical Name: Di-tert-butyl(diphenylmethyl)phosphane
• CAS No.: 76181-97-0
• Molecular Formula: C21H29P
• Molecular Weight: 312.42900
• DSSTox Substance ID: DTXSID70503356
• Nikkaji Number: J2.480.704E
• Wikidata: Q82357103
• Mol file: 76181-97-0.mol

Synonyms:Di-tert-butyl(diphenylmethyl)phosphane;76181-97-0;DTXSID70503356

Chemical Property of Di-tert-butyl(diphenylmethyl)phosphane

Chemical Property:

• Melting Point: 143-145 °C
• Boiling Point: 160-170 °C(Press: 0.06 Torr)
• PSA: 13.59000
• LogP: 6.85490
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 312.200687923
• Heavy Atom Count: 22
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Di-tert-butyl(diphenylmethyl)phosphane

There total 1 articles about Di-tert-butyl(diphenylmethyl)phosphane 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: 60.0%

di(tert-butyl)chlorophosphine (13716-10-4) + diphenylmethyllithium (881-42-5) → (di-tert-butyl)(diphenylmethyl)phosphine (76181-97-0)

Guidance literature:

In tetrahydrofuran; 1) - 80 deg C, 2) -20 to 20 deg C, 15 min, 3) 20 deg C, 30 min;

Reference yield: 82.7%

palladium diacetate (3375-31-3) + (di-tert-butyl)(diphenylmethyl)phosphine (76181-97-0) + lithium chloride → di-μ-chlorobis(1-[(di-tert-butylphosphino)(phenyl)methyl]phenyl-C(2),P)dipalladium(II) (942426-10-0,942305-45-5)

Guidance literature:

In methanol; acetone; phosphine and Pd acetate suspended in degassed toluene; stirred at 50°C for 6.5 h; solvent evapd.; oil dissolved in acetone; soln. of LiCl in acetone-MeOH added; stirred for 90 min; evapd. to dryness; suspended in CH2Cl2; washed with H2O; aq. layer removed; org. extract concd.; column chromd. (silica gel, CH2Cl2-hexanes 1:2); yellowish green fraction collected; crystd. from acetone-Et2O; elem. anal.;

DOI:10.1021/ic0702320

Reference yield: 74.0%

tris(2,3,5,6-tetrafluorophenyl)borane triethylphosphine oxide (148892-95-9) + (di-tert-butyl)(diphenylmethyl)phosphine (76181-97-0) → [(Ph2CH)(t-Bu)2PH][HB(p-C6F4H)3] (1239667-59-4)

Guidance literature:

With hydrogen; In bromobenzene; hexane; at -196 - 20 ℃; under 3040.2 Torr;

DOI:10.1021/om100563m

upstream raw materials:

di(tert-butyl)chlorophosphine

diphenylmethyllithium

Downstream raw materials:

di-t-butylchlorophosphonium diphenylmethylid

di-μ-chlorobis(1-[(di-tert-butylphosphino)(phenyl)methyl]phenyl-C(2),P)dipalladium(II)

[(Ph₂CH)(t-Bu)2PH][HB(p-C₆F₄H)3]

[(S)-prolinato-N,O](1-[(di-tert-butylphosphino)(phenyl)methyl]phenyl-C⁽²⁾,P)palladium(II)