325820-04-0

Basic information

• Product Name: 1,2-di(hydroseleno)-1,2-dicarba-closo-dodecaborane⁽¹²⁾
• Synonyms: 1,2-di(hydroseleno)-1,2-dicarba-closo-dodecaborane⁽¹²⁾
• CAS NO: 325820-04-0
• Molecular Weight: 302.147
• Mol File: 325820-04-0.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 1,2-di(hydroseleno)-1,2-dicarba-closo-dodecaborane⁽¹²⁾(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2-di(hydroseleno)-1,2-dicarba-closo-dodecaborane⁽¹²⁾(325820-04-0)
• EPA Substance Registry System: 1,2-di(hydroseleno)-1,2-dicarba-closo-dodecaborane⁽¹²⁾(325820-04-0)

Safety Data

• Hazardous Substances Data: 325820-04-0(Hazardous Substances Data)

Upstream product

• 1240387-50-1 2-(dimethyl sulfide)-4,5-[1,2-dicarba-closo-dodecaborano⁽¹²⁾]-1,3-diselena-2-boracyclopentane 
• 75-65-0 tert-butyl alcohol 
• 1125-26-4 dimethylphenylvinylsilane 
• 91158-39-3 (phenyloxy)dibromoborane 
• 1095-03-0 triphenylborane 
• 1229650-12-7 C₂B₁₀H₁₀(SeSi(CH₃)2)2 
• 67-56-1 methanol 

Relevant articles and documents

A spirocyclic borate and a dihydroborate derived from the 1,2-diselenolato-1,2-dicarba-closo-dodecaborane(12) dianion [1,2-(1,2-C 2B10H10)Se2]2-: Structures, NMR spectroscopy, and DFT calculations

The reaction of the diselenolato-1,2-dicarba-closo-dodecaborane(12) dianion with BF3-OEt2 affords selectively a spirocyclic bis(1,2-dicarba-closo-dodecaborane-1,2-diselena)borate, whereas the analogous reaction with boron trichloride leads mainly to 1,2-bis(ethylseleno)-1,2- dicarba-closo-dodecaborane(12) through ether cleavage. The spirocyclic borate reacts with methanol by cleavage of both Se-B and Se-C bonds. With borane in THF (BH3/THF) and also with LiBH4 exchange reactions take place, which afford the 1,2-dicarba-closo-dodecaborane-1,2- diselenadihydroborate. The molecular structures of both borates as tetrabutylammonium salts were determined by X-ray analysis. In solution, the borates were characterized by multinuclear magnetic resonance spectroscopy (1H, 11B, 13C, 77Se). The gas-phase geometries of the borate anions were optimized [RB3LYP/6-3111+G(d,p) level of theory], and the NMR spectroscopic parameters (chemical shifts and coupling constants) were calculated.

Synthesis, molecular structure and reactivity of the dimethyl sulfide adduct of a 1,3,2-diselenaborolane with an annelated dicarba-closo- dodecaborane(12) unit

The reaction of 1,2-diselenolato-1,2-dicarba-closo-dodecaborane(12) dianion [1,2-(1,2-C2B10H10)Se2] 2- with HBBr2-SMe2 affords the dimethylsulfide adduct of 4,5-[1,2-dicarba-closo-dodecaborano(12)]-1,3-diselena -2-borolane in good yield. The molecular structure was determined by X-ray diffraction, and the solution-state structure was established by NMR spectroscopy (1H, 11B, 13C, 77Se NMR). 11B and 77Se chemical shifts were reproduced by DFT calculations. Attempts were made to abstract dimethyl sulfide, and the parent donor-free compound could be detected in solution. The reactivity of the title compound was studied towards pyridine, Me3SnF,[Pt(PPh3)2(C2H 4)], tert-Bu -OH, AlMe3 and AlH3-N(Et)Me 2 as well as a hydroborating reagent.