138599-07-2

Basic information

• Product Name: (HCCCH₂OH)Co₂(CO)5(PPh₃)
• CAS NO: 138599-07-2
• Molecular Weight: 576.393
• Mol File: 138599-07-2.mol

Chemical Properties

• CAS DataBase Reference: (HCCCH₂OH)Co₂(CO)5(PPh₃)(CAS DataBase Reference)
• NIST Chemistry Reference: (HCCCH₂OH)Co₂(CO)5(PPh₃)(138599-07-2)
• EPA Substance Registry System: (HCCCH₂OH)Co₂(CO)5(PPh₃)(138599-07-2)

Safety Data

• Hazardous Substances Data: 138599-07-2(Hazardous Substances Data)

Upstream product

• 12264-12-9 1-hydroxyprop-2-ynehexacarbonyldicobalt 
• 67969-83-9 tetrafluoroboric acid dimethyl ether complex 

Downstream Products

• 90108-87-5 (HCCCHO)Co₂(CO)5(PPh₃) 
• 141527-19-7 {(HCCCH₂)Co₂(CO)5(P(C₆H₅)3)}⁽¹⁺⁾*BF₄^(1-)={(HCCCH₂)Co₂(CO)5(P(C₆H₅)3)}BF₄ 

Relevant articles and documents

Synthesis and non-linear optical properties of (alkyne)dicobalt octacarbonyl complexes and their substitution derivatives

A series of new donor-acceptor compounds of the form [(HC≡C-CH=CH-C6H4-X-p)Co2(CO) 4(L1)(L2)])] (2, X=Br, L1=L2=CO; 3, X=NO2, L1=L2=CO; 6, X=NO2, L1=CO, L2=PPh3; 7, X=NO2, L1=L2=PPh3; 8, X=NO2, L1=AsPh3, L2=PPh3), where X is a π-acceptor group and the (alkyne)Co2(CO)4(L1)(L2) moiety is a donor, has been synthesized. The different σ-donor/π-acceptor abilities of the ligands L1 and L2 allow tuning of the electronic and optical properties of complexes 2, 3 and 6-8: the hyperpolarizability values increase in the order 23678. Density functional calculations reveal that the absolute values of β do not agree with experimental results, but the general trends are consistent with experiments. The X-ray crystal structures of 2, 6, and 7 are reported.

Some chiral alkyne-cobalt complexes

The trimethyl phosphite substituted pentacarbonylpropargyldicobalt cation, CCH2)Co2(CO)5L>+ , is significantly more stable than its phosphine analogues (L = PPh3, PBu3), and has been converted to a series of ethers, (CHCCH2OR)Co(CO)5L.Reaction of the (cholesteryl propargyl ether)hexacarbonyldicobalt complex with trimethyl phosphite proceeds without stereoselectivity, and the product suffers metal-carbon rather than oxygen-carbon cleavage on treatment with acid.