83487-29-0

Basic information

• Product Name: Re(NC(CH₃)3)2(CH₂C₆H₅)3
• CAS NO: 83487-29-0
• Molecular Weight: 601.849
• Mol File: 83487-29-0.mol

Chemical Properties

• CAS DataBase Reference: Re(NC(CH₃)3)2(CH₂C₆H₅)3(CAS DataBase Reference)
• NIST Chemistry Reference: Re(NC(CH₃)3)2(CH₂C₆H₅)3(83487-29-0)
• EPA Substance Registry System: Re(NC(CH₃)3)2(CH₂C₆H₅)3(83487-29-0)

Safety Data

• Hazardous Substances Data: 83487-29-0(Hazardous Substances Data)

Upstream product

• 83487-31-4 bis(t-butylimido)trichlororhenium(VII) 
• 6921-34-2 benzylmagnesium chloride 

Downstream Products

• 83487-34-7 Re(NC(CH₃)3)2(CH₂C₆H₅)(CHC₆H₅) 

Relevant articles and documents

Rhenium(VII) neopentylidene and neopentylidyne complexes and the X-ray structure of Re(CCMe3)(CHCMe3)(C5H5N) 2I2

Addition of 4 equiv of HCl to Re(NCMe3)3(OSiMe3) yields orange Re(NCMe3)2Cl3 in >85% yield. Analogous alkyl complexes Re(NCMe3)2R3 (R = Me, CH2Ph, CH2SiMe3) can be prepared by using the appropriate alkylating agent, but attempts to prepare Re(NCMe3)2(CH2CMe3)3 yielded Re(NCMe3)2-(CHCMe3)(CH2CMe 3), a yellow-orange oil, in >70% yield. Irradiation of Re(NCMe3)2(CH2SiMe3)3 with a medium-pressure mercury lamp produces yellow, crystalline Re(NCMe3)2(CHSiMe3)(CH2SiMe 3) quantitatively. Protonation of Re(NCMe3)2(CHCMe3)(CH2CMe 3) with 3 equiv of 2,4-lutidine hydrochloride yields [Re(CCMe3)(CHCMe3)(NH2CMe3)Cl 2]2. Use of pyridine hydrochloride produces intermediate Re(CCMe3)(CH2CMe3)(NHCMe 3)(py)Cl2 that decomposes to give [Re(CCMe3)(CHCMe3)(NH2CMe3)Cl 2]2. Deuterium labeling studies show that one imido ligand is first deuterated and then (most likely) a neopentylidyne ligand is formed by migration of a hydrogen atom from the neopentylidene α-carbon atom to the other imido nitrogen atom. Derivatives of [Re(CCMe3)(CHCMe3)(NH2CMe3)Cl 2]2 such as Re(CCMe3)(CHCMe3)(CH2CMe3) 2, Re(CCMe3)(CHCMe3)(OCMe3)2, and Re(CCMe3)(CHCMe3)py2I2 were also prepared. Re(CCMe3)(CHCMe3)py2I2 crystallizes in the centrosymmetric monoclinic space group P21/c with a = 9.7682 (25) A?, b = 14.7250 (41) A?, c = 17.4070 (44) A?, β = 110.821 (21)°, and Z = 4. Diffraction data were collected with a Syntex P21 diffractometer, and the structure was refined to RF = 3.7% for all 3076 data with 2θ 4.5-45.0° (Mo Kα). The complex has mutually trans iodide and mutually cis pyridine ligands. The rhenium-neopentylidyne system is defined by Re≡C(11) = 1.742 (9) A? and Re≡C(11)-C(12) = 174.8 (7)°; the rhenium-neopentylidene system has Re=C(16) = 1.873 (9) A? and Re=C(16)-C(17) = 150.3 (7)°. Addition of HCl to Re(CCMe3)(CHCMe3)(CH2CMe3) 2 yields trigonal-bipyramidal Re(CCMe3)(CH2CMe3)3Cl, the third member of a series of related molecules that includes Ta(CH2CMe3)3Cl2 and W(NPh)(CH2CMe3)3Cl.