220680-71-7

Basic information

• Product Name: [(η(5)-C5Me5)2Ti(η(2)-[phenyl(ethynyl)]ferrocene)]
• Synonyms: [(η(5)-C5Me5)2Ti(η(2)-[phenyl(ethynyl)]ferrocene)]
• CAS NO: 220680-71-7
• Molecular Weight: 604.494
• Mol File: 220680-71-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: [(η(5)-C5Me5)2Ti(η(2)-[phenyl(ethynyl)]ferrocene)](CAS DataBase Reference)
• NIST Chemistry Reference: [(η(5)-C5Me5)2Ti(η(2)-[phenyl(ethynyl)]ferrocene)](220680-71-7)
• EPA Substance Registry System: [(η(5)-C5Me5)2Ti(η(2)-[phenyl(ethynyl)]ferrocene)](220680-71-7)

Safety Data

• Hazardous Substances Data: 220680-71-7(Hazardous Substances Data)

Upstream product

• 11136-36-0 bis(pentamethylcyclopentadienyl)titanium dichloride 

Relevant articles and documents

Synthesis and structure of titanocene complexes with η2-coordinated internal ferrocenylacetylenes

The reduction of (η5-C5H5-nMen) 2TiCl2 (n = 0, 4, and 5) complexes by magnesium metal in tetrahydrofuran and in the presence of [(trimethylsilyl)ethynyl]ferrocene (2) or [(phenyl)-ethynyl]ferrocene (3) affords the (η5-C5H5-nMen) 2Ti(η2-FcC≡CR) complexes [Fc = (η5-C5H5)-Fe(η5-C 5H4), R = SiMe3 (4-6) and Ph (7-9)]. Crystal structures of 5 and 9 show a titanacyclopropene-like mode of coordination of the acetylenes 2 and 3. Bonding of the acetylenes to the titanocene unit results in a remarkable downfield shift of 13C NMR resonances of the acetylenic carbon atoms and in a large red shift of the v(C≡C) wavenumbers. Testing the complexes 6 and 9 toward head-to-tail dimerization of HC≡CSiMe3 showed that compound 9 induces dimerization to give exclusively 2,4-bis(trimethylsilyl)-but-1-en-3-yne (10), whereas complex 6 is inactive.