Cas 108453-40-3,HRe(P(C6H5)3)2(CNC6H3(CH3)2)3

108453-40-3

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Product Name: HRe(P(C₆H₅)3)2(CNC₆H₃(CH₃)2)3
Synonyms:
CAS NO:108453-40-3
Molecular Formula:
Molecular Weight: 1105.33
EINECS: N/A
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Chemical Properties

Melting Point: N/A
Boiling Point: N/A
Flash Point: N/A
Appearance: N/A
Density: N/A
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Solubility: N/A
CAS DataBase Reference: HRe(P(C₆H₅)3)2(CNC₆H₃(CH₃)2)3(CAS DataBase Reference)
NIST Chemistry Reference: HRe(P(C₆H₅)3)2(CNC₆H₃(CH₃)2)3(108453-40-3)
EPA Substance Registry System: HRe(P(C₆H₅)3)2(CNC₆H₃(CH₃)2)3(108453-40-3)

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Hazardous Substances Data: 108453-40-3(Hazardous Substances Data)

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Check Digit Verification of cas no

The CAS Registry Mumber 108453-40-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,8,4,5 and 3 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 108453-40:
(8*1)+(7*0)+(6*8)+(5*4)+(4*5)+(3*3)+(2*4)+(1*0)=113
113 % 10 = 3
So 108453-40-3 is a valid CAS Registry Number.

108453-40-3Upstream product

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108453-40-3Relevant academic research and scientific papers

Synthesis, structures, and C-H bond activation reactions of HRe(PR3)2(L)3 complexes

Jones, William D.,Maguire, John A.

, p. 1728 - 1737 (2008/10/08)

The reactions of (η4-C5H6)Re(PPh3) 2H3 with a variety of ligands L are found to give substitution products in which cyclopentene is displaced from the metal. For the cases in whieh L = CO or CNR (R = Me, Et, i-Pr, t-Bu, CH2CMe3, c-C6H11, and 2,6-xylyl), products of the formulation HRe(PPh3)2L3 are obtained. The complex HRe(PPh3)2(CNMe)3 was found to be of the mer configuration, crystallizing in the triclinic space group P1 with a = 11.201 (5) A?, b = 18.630 (6) A?, c = 9.433 (4) A?, α = 98.74 (4)°, β = 105.00 (4)°, γ = 103.05 (4)°, V = 1805.4 (3.3) A?3, dcalcd = 1.536 g/cm3, and Z = 2. Reaction with L = PMe3 is found to give only HRe(PMe3)5, which crystallizes in the monoclinic space group C2/m with a = 15.698 (6) A?, b = 10.869 (5) A?, c = 15.092 (4) A?, β = 107.88 (3)°, V = 2450.5 (3.1) A?3, dcalcd = 1.538 g/cm3, and Z = 4. This complex undergoes H/D exchange of all hydrogen atoms with C6D6 solvent upon irradiation or heating to 105°C and catalytically exchanges deuterium from the solvent into added free PMe3. With L = PEt3, an intermediate in which one of the PPh3 ligands has undergone ortho metalation is isolated. H2Re(PEt3)3-(PPh2C6H 4) was found to crystallize in the orthorhombic space group Pcab with a = 19.285 (5) A?, b = 32.437 (7) A?, c = 12.150 (4) A?, V = 7600.7 (5.7) A?3, dcalcd = 1.405 g/cm3, and Z = 8. The complex shows a pentagonal-bipyramid geometry with axial PEt3 groups. Fluxional interchange of the two distinct hydride ligands and the axial and equatorial PEt3 ligands is observed. Reaction with L = DMPE gives ReH-(DMPE)2(PPh3), which was found to crystallize in the triclinic space group P1 with a = 10.523 (6) A?, b = 18.599 (8) A?, c = 10.511 (5) A?, α = 90.94 (4)°, β = 117.37 (4)°, γ = 105.85 (5)°, V = 1732.9 (8.5) A?3, dcalcd = 1.512 g/cm3, and Z = 2. The complex displays a cis-octahedral structure.

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