947326-05-8

Basic information

• Product Name: 3,4,7,8-bis(1,2-dicarba-closo-dodecaborane[1,2])-1,2,5,6-tetraselena-cyclooctane
• Synonyms: 3,4,7,8-bis(1,2-dicarba-closo-dodecaborane[1,2])-1,2,5,6-tetraselena-cyclooctane
• CAS NO: 947326-05-8
• Molecular Weight: 600.263
• Mol File: 947326-05-8.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 3,4,7,8-bis(1,2-dicarba-closo-dodecaborane[1,2])-1,2,5,6-tetraselena-cyclooctane(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4,7,8-bis(1,2-dicarba-closo-dodecaborane[1,2])-1,2,5,6-tetraselena-cyclooctane(947326-05-8)
• EPA Substance Registry System: 3,4,7,8-bis(1,2-dicarba-closo-dodecaborane[1,2])-1,2,5,6-tetraselena-cyclooctane(947326-05-8)

Safety Data

• Hazardous Substances Data: 947326-05-8(Hazardous Substances Data)

Upstream product

• 1622862-40-1 2-[3,5-dimethylphenylmethyl]-4,5-[1,2-dicarba-closo-dodecaborano-⁽¹²⁾]-1,3,2-diselenaphospholane 
• 7704-34-9 sulfur 
• 1003194-77-1 C₂B₁₀H₁₀(SeSi(CH₃)2Se) 
• 2844-89-5 dichlorocyclohexylphosphine 
• 928-49-4 hex-3-yne 
• 1344672-56-5 2-phenyl-4,5-[1,2-dicarba-closo-dodecaborano⁽¹²⁾]-1,3-diselena-2-borolane 
• 1017605-86-5 2-phenyl-4,5-[1,2(1,2-dicarba-closo-dodecaborano)]-1,3-diselena-2-phospha-cyclopentane 
• 7732-18-5 water 

Downstream Products

• 1003194-88-4 1,2-diselenolato-1,2-dicarba-closo-dodecaborane⁽¹²⁾bis(triphenylphosphane)platinum 

Relevant articles and documents

1,3,2-Diselena- and 1,3,2-ditelluraphospholanes with an annelated 1,2-dicarba-closo-dodecaborane(12) unit

The exchange reactions of phosphorus dihalides RPX2 [R = iPr, cyclohexyl (Cy), tBu, (3,5-Me2-C6H3)CH2, Ph; X = Cl, Br], EtOPCl2, Et2NPCl2, Cl2PCH2PCl2, and Cl2PCH2CH2PCl2 with 2,2-dimethyl-4,5-[1,2-dicarba-closo-dodecaborano(12)]-1,3-diselena-2-silacyclopentane provide a straightforward route to 1,3,2-diselenaphospholanes. Some tellurium analogues were prepared from the dilithium salt [1,2-(LiTe)2-1,2-C2B10H10] and were more difficult to characterize. For the selenium compounds, some of the P-organosubstituted five-membered rings dimerize to give ten-membered rings, most readily with the more bulky alkyl groups such as tBu. This was not observed for the tellurium compounds. The conformations of the five-membered rings were studied by NMR spectroscopy and DFT methods. Striking structural differences were clear for the 2-phenyl-1,3,2-diselenaphospholane derivative in solution and in the solid state. All reactions were monitored by multinuclear magnetic resonance spectroscopy (1H, 11B, 13C, 31P, 77Se, and 125Te NMR), and solution-state structures could be proposed. Remarkably large secondary isotope effects as isotope-induced chemical shifts 2Δ12/13C(31P) exerted by the carborane carbon atoms were observed; this is apparently a special property of the five-membered ring. The gas-phase structures were optimized by DFT methods [B3LYP/6-311+G(d,p) level of theory], and the NMR parameters were calculated. Two 1,3,2-diselenaphospholanes and one dimer were characterized by X-ray analysis. The solution-state structures of some 1,3,2-diselenaphospholanes depend on the nature of R, and some derivatives dimerize reversibly in solution (irreversibly with R = tBu).

Selective consecutive insertion of alkynes into the B-Se bonds of 1,3,2-diselenaborolane derivatives: Synthesis and molecular structures of nine-membered rings

Various alkynes have been inserted selectively and stepwise into the B-Se bond(s) of 1,3,2-diselenaboracyclopentanes {as the 4,5-[1,2-dicarba-closo- dodecaborano(12)] derivatives}. The B-phenyl derivative was much less reactive than the B-halogeno derivat