Phosphine, [(4-methylphenyl)ethynyl]diphenyl-

Base Information

• Chemical Name: Phosphine, [(4-methylphenyl)ethynyl]diphenyl-
• CAS No.: 139623-30-6
• Molecular Formula: C21H17P
• Molecular Weight: 300.34
• DSSTox Substance ID: DTXSID20465218
• Nikkaji Number: J1.349.453C
• Wikidata: Q82291009
• Mol file: 139623-30-6.mol

Synonyms:Phosphine, [(4-methylphenyl)ethynyl]diphenyl-;139623-30-6;DTXSID20465218;p-tolyl(diphenylphosphino)acetylene

Chemical Property of Phosphine, [(4-methylphenyl)ethynyl]diphenyl-

Chemical Property:

• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 300.106787540
• Heavy Atom Count: 22
• Complexity: 363

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C#CP(C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of Phosphine, [(4-methylphenyl)ethynyl]diphenyl-

There total 1 articles about Phosphine, [(4-methylphenyl)ethynyl]diphenyl- 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: 96.0%

chloro-diphenylphosphine (1079-66-9,74391-44-9) + 4-n-methylphenylacetylene (766-97-2) → diphenyl[(4-methylphenyl)ethynyl]phosphane (139623-30-6)

Guidance literature:

With bis(acetylacetonate)nickel(II); triethylamine; In toluene; at 80 ℃; for 0.166667h;

DOI:10.1021/ol035562c

Reference yield: 93.0%

ruthenium trichloride hydrate (14898-67-0) + diphenyl[(4-methylphenyl)ethynyl]phosphane (139623-30-6) → trans-RuCl2(PPh2C2C6H4CH3-4)4

Guidance literature:

In ethanol; (Schlenk) a mixt. of RuCl3*xH2O with phosphine (1:4 molar ratio) in degassed commercial ethanol was refluxed for ca. 1 h under N2 atm., cooled; solid was filtered off, washed with ethanol, water, diethyl ether, driedunder vac.; elem. anal.;

DOI:10.1021/om050935u

Reference yield: 92.0%

RuCl2(p-cymene)(PPh2C.tplbnd.C-p-tol) (214901-15-2) + silver trifluoromethanesulfonate (2923-28-6) + diphenyl[(4-methylphenyl)ethynyl]phosphane (139623-30-6) → [(η6-p-cymene)RuCl(PPh2CCC6H4-4-CH3)2]O3SCF3 (764663-22-1)

Guidance literature:

In acetone; soln. of Ru complex in acetone was stirred with Ag salt for 2 h in absence of light; filtered; treated with alkyne (1 equiv.); stirred for 5 min; evapd.; Et2O added; pptd.; elem. anal.;

DOI:10.1021/om049676j

upstream raw materials:

chloro-diphenylphosphine

4-n-methylphenylacetylene

Downstream raw materials:

[2-(4-methylphenyl)ethynyl]diphenylphosphine oxide

C₂₉H₂₂MoO₃P⁽¹⁺⁾*BF₄^(1-)

(C₅H₅)Fe(CO)2(P(C₆H₅)2CCC₆H₄CH₃)⁽¹⁺⁾*BF₄^(1-)=[(C₅H₅)Fe(CO)2(P(C₆H₅)2CCC₆H₄CH₃)]BF₄

RuCl₂(p-cymene)(PPh₂C_.tplbnd.C-p-tol)