82865-10-9

Basic information

• Product Name: [(C₅H₅)2TiSe₂C₂(CO₂CH₃)2]
• Synonyms: [(C₅H₅)2TiSe₂C₂(CO₂CH₃)2]
• CAS NO: 82865-10-9
• Molecular Weight: 478.101
• Mol File: 82865-10-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: [(C₅H₅)2TiSe₂C₂(CO₂CH₃)2](CAS DataBase Reference)
• NIST Chemistry Reference: [(C₅H₅)2TiSe₂C₂(CO₂CH₃)2](82865-10-9)
• EPA Substance Registry System: [(C₅H₅)2TiSe₂C₂(CO₂CH₃)2](82865-10-9)

Safety Data

• Hazardous Substances Data: 82865-10-9(Hazardous Substances Data)

Upstream product

• 12307-22-1 titanocene pentaselenide 
• 762-42-5 dimethyl acetylenedicarboxylate 

Downstream Products

• 1271-19-8 bis(cyclopentadienyl)titanium dichloride 
• 82865-14-3 [Pt₂(Se₂C₂(CO₂CH₃)2)2((C₆H₅)2PCCP(C₆H₅)2)2] 
• 82865-15-4 [Ni(Se₂C₂(CO₂CH₃)2)((C₆H₅)2PC₃H₆P(C₆H₅)2)] 
• 82865-13-2 [Pt(Se₂C₂(CO₂CH₃)2)(P(C₆H₅)3)2] 
• 82865-18-7 [Rh(Se₂C₂(CO₂CH₃)2)(CO)2]^(1-)*As(C₆H₅)4⁽¹⁺⁾=[Rh(Se₂C₂(CO₂CH₃)2)(CO)2][As(C₆H₅)4] 

Relevant articles and documents

Template syntheses of 1,2-alkene dichalcogenide chelates via the addition of activated acetylenes to dicyclopentadienyltitanium pentachalcogenides

The pentachalcogenides (C5H4R)2TiE5 (R = H, CH3; E = S, Se) react with acetylenes ZC=CZ (Z = CO2CH3, CF3) to give the alkene dichalcogenide compounds, (C5H4R)2TiE2C2Z 2, which were isolated as dark green crystalline solids. The dithiolene syntheses proceed in ca. 40% yield at 140 °C while the corresponding diselenene synthesis was quantitative at 80 °C. The new compounds were characterized by 1H, 13C, 19F, and 77Se NMR, IR, mass spectrometry, and electrochemistry. (C5H4CH3)2TiS2C 2(CO2CH3)2 crystallizes in the triclinic space group P1-Cl1 (No. 2) with one molecule per unit cell of dimensions a = 9.312 (2) A?, b = 9.886 (2) A?, c = 11.225 (3) A?, α= 109.35 (2)°, β = 88.25 (2)°, and γ = 105.78 (2)°. Empirically weighted full-matrix least-squares refinement employing isotropic thermal parameters for hydrogen atoms and anisotropic thermal parameters for all others converged to R1(based on f) = 0.032 and R2 = 0.039 for 4098 independent reflections having 2θMoKα ≤ 58.7° and I > 3σ(I). The structure analysis revealed a conventional bis(methylcyclopentadienyl)titanium moiety chelated by the sulfur atoms of the dithiolene. The conversion of (C5H5)2TiSe5 to its alkene diselenide derivative was characterized as a function of reactant concentrations and temperature. In refluxing 1,2-dichloroethane solution, this reaction was found to be first order with respect to both acetylene and pentaselenide concentrations, the second-order rate constant being 1.58 × 10-3 M-1 s-1 at 83.5 °C. The compounds (C5H4R)2TiE2C2Z 2 were found to react with a variety of dichloro compounds, LnMCl2, to give the ligand-exchange products LnME2C2Z2 (Z = CO2CH3) and (C5H4R)2TiCl2. In this way the following new compounds were prepared: Ni(Se2C2Z2)(Ph2PCH 2CH2CH2PPh2), Pt-(E2C2Z2)(PPh3)2 (E = S, Se), Pt2(Se2C2Z2)2(Ph 2PC2PPh2)2, (AsPh4)[Rh(Se2C2Z2)(CO) 2], and SCSe2C2Z2. Alcoholysis of (C5H5)2TiSe2C2(CO 2CH3)2 in basic methanol gave solutions of Na2Se2C2(CO2CH3) 2, which was derivatized with CH3I (2 equiv) and cis-PtCl2(PPh3)2.