Phosphine, 1,3-butadiyne-1,4-diylbis[diphenyl-

Base Information

• Chemical Name: Phosphine, 1,3-butadiyne-1,4-diylbis[diphenyl-
• CAS No.: 7652-17-7
• Molecular Formula: C28H20P2
• Molecular Weight: 418.414
• DSSTox Substance ID: DTXSID00455617
• Nikkaji Number: J938.618A
• Wikidata: Q82277704
• Mol file: 7652-17-7.mol

Synonyms:Phosphine, 1,3-butadiyne-1,4-diylbis[diphenyl-;7652-17-7;DTXSID00455617;Bis(diphenylphosphino)-1,3-butadiyne;1,4-bis(diphenylphosphino)buta-1,3-diyne

Chemical Property of Phosphine, 1,3-butadiyne-1,4-diylbis[diphenyl-

Chemical Property:

• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 418.10402463
• Heavy Atom Count: 30
• Complexity: 537

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)P(C#CC#CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of Phosphine, 1,3-butadiyne-1,4-diylbis[diphenyl-

There total 3 articles about Phosphine, 1,3-butadiyne-1,4-diylbis[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: 75.0%

1,4-bis(trimethylsilyl)-1,3-butadiyne (4526-07-2) + chloro-diphenylphosphine (1079-66-9,74391-44-9) → 1,3-bis(diphenylphosphino)buta-1,3-diyne (7652-17-7)

Guidance literature:

In tetrahydrofuran; at -40 - 20 ℃;

DOI:10.1016/S0022-328X(96)06655-7

Reference yield:

Butadiyne (460-12-8,27987-87-7) + chloro-diphenylphosphine (1079-66-9,74391-44-9) → 1,3-bis(diphenylphosphino)buta-1,3-diyne (7652-17-7)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction; 1.) Et₂O, hexane, -64 deg C, 45 min, 2.) Et₂O, -64 deg C to rt, 30 min;

DOI:10.1039/DT9920001157

Reference yield:

chloro-diphenylphosphine (1079-66-9,74391-44-9) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 1,3-bis(diphenylphosphino)buta-1,3-diyne (7652-17-7)

Guidance literature:

Multistep reaction; (i) EtMgBr, (ii) /BRN= 512032/;

upstream raw materials:

chloro-diphenylphosphine

buta-1,3-diene

Butadiyne

1,4-bis(trimethylsilyl)-1,3-butadiyne

Downstream raw materials:

{W(CO)5}2((C₆H₅)2PC₄P(C₆H₅)2)

[RuCl(2,2':6',2''-terpyridine)(Ph₂PCCCCPPh₂)]PF₆

[(W(CO)4)(Ph2PC4PPh2-κ1P)2]

(AuC₂C₆H₅)2P₂(C₆H₅)4C₄