959627-82-8

Basic information

• Product Name: [Ti(MeC(2-C₅H₄N)(CH₂N(3,5-C₆H₃Me₂))2)(N-t-Bu)(H₂N-t-Bu)]
• CAS NO: 959627-82-8
• Molecular Weight: 563.666
• Mol File: 959627-82-8.mol

Chemical Properties

• CAS DataBase Reference: [Ti(MeC(2-C₅H₄N)(CH₂N(3,5-C₆H₃Me₂))2)(N-t-Bu)(H₂N-t-Bu)](CAS DataBase Reference)
• NIST Chemistry Reference: [Ti(MeC(2-C₅H₄N)(CH₂N(3,5-C₆H₃Me₂))2)(N-t-Bu)(H₂N-t-Bu)](959627-82-8)
• EPA Substance Registry System: [Ti(MeC(2-C₅H₄N)(CH₂N(3,5-C₆H₃Me₂))2)(N-t-Bu)(H₂N-t-Bu)](959627-82-8)

Safety Data

• Hazardous Substances Data: 959627-82-8(Hazardous Substances Data)

Upstream product

• 959627-86-2 [Ti(MeC(2-C5H4N)(CH2N(3,5-C6H3Me2))2)(κ2-N(t-Bu)CH=CPh)] 
• 75-64-9 tert-butylamine 
• 959627-78-2 [Ti(MeC(2-C₅H₄N)(CH₂N-3,5-C₆H₃Me₂)2)(NMe₂)2] 

Relevant articles and documents

Insertions into azatitanacyclobutenes: New insights into three-component coupling reactions involving imidotitanium intermediates

Reaction of the titanium imido complexes [Ti(NR)(N2 XylNpy)(L)] (N2XylNpy = MeC(2-C5H4N) {CH2N(3,5-C6H 3Me2)}2)

Imido-alkyne coupling in titanium complexes: New insights into the alkyne hydroamination reaction

Titanium imido complexes [Ti(NR)(N2ArN py)(L)] (N2ArNpy = MeC(2-C 5H4N)(CH2NAr)2, Ar = 4-C 6H4-Me or 3,5-C6H3Me2) have been prepared from the corresponding bis(amide) complexes [Ti(N 2ArNpy)-(NMe2)2]. The reaction chemistry of the imido ligand has been investigated with aryl acetylenes, affording the {2 + 2} cycloaddition products [Ti(N2 ArNpy){κ2-N(tBu)CH=CAr′} ] (Ar′ = Ph and 4-C6H4Me) which represent a catalytic intermediate in the anti-Markovnikov hydroamination of terminal alkynes. Reaction of these azatitanacyclobutene complexes with tert-butylamine completes the catalytic cycle, affording trans-cinnamyl(tert-butyl)amine; conversely, reaction with a second equivalent of alkyne afforded a second insertion product, an azatitanacyclohexadiene [Ti(N2 ArNpy){κ2-N(tBu)CH= C(Ar′)C(Ar′) = CH}], two examples of which have been characterized by X-ray crystallography. Studies into the catalytic hydroamination of phenyl acetylene with tert-butylamine have been performed and indicate that the formation of an azatitanacyclohexadiene complex represents a deactivation pathway in this catalytic reaction.