2,2'-bis[3-(triethyltin)inden-1-yl]propane | 182218-01-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 2,2'-bis[3-(triethyltin)inden-1-yl]propane
• 英文别名: triethyl-[3-[2-(3-triethylstannyl-3H-inden-1-yl)propan-2-yl]-1H-inden-1-yl]stannane
• CAS: 182218-01-5
• 化学式: C₃₃H₄₈Sn₂
• 分子量: 682.164
• InChiKey: NKJOYVRTQMAZFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.47
• 重原子数：
  35
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  氯化锆(IV) 、 2,2'-bis[3-(triethyltin)inden-1-yl]propane 以 甲苯 为溶剂， 以45%的产率得到rac-Me₂C(Ind)₂ZrCl₂
  参考文献：
  名称：

  Synthesis and molecular structures of the racemate and themeso-form of 2,2?-propylidene-bis(?5-indenyl)zirconium dichloride

  摘要：

  A mixture or rac- and meso-2,2'-propylidene-bis(eta(5)-indenyl)zirconium dichlorides was obtained in 95% yield. The compounds were separated, and their structures were established by X-ray structural analysis.

  DOI：

  10.1007/bf01435816
• 作为产物：
  描述：

  triethylstannyldiethylamine 、 2,2-bis(1H-inden-3-yl)propane 以 四氢呋喃 为溶剂， 以99%的产率得到2,2'-bis[3-(triethyltin)inden-1-yl]propane
  参考文献：
  名称：

  Synthesis and X-ray crystal structures of rac- and meso-2,2′-propylidene-bis(1-indenyl) zirconium dichlorides

  摘要：

  An improved synthesis of 2,2'-bis(1-indenyl)propane and the corresponding ansa-complexes of zirconium are reported. Synthesis of a mixture of rac- and meso-2,2'-propylidene-bis(l-indenyl)zirconium dichlorides involves a treatment of ZrCl4 with bis[3-(trialkyltin)inden-1-yl]propane, where alkyl = ethyl, butyl, in toluene. This reaction gives the products in 92% yield and might be a convenient synthetic pathway to a number of straightforward ansa-metallocenes. Both rac- and meso-2,2'-propylidene-bis( I-indenyl)zirconium dichlorides were separated and isolated using simple work-up processes, and characterized by X-ray crystal structure analysis (rac-:C2/c; a = 15.903(3)Angstrom, b = 11.105(2)Angstrom and c = 11.520(2)Angstrom; beta = 121.61(3)degrees; Z = 4; V = 1732.6(5) Angstrom(3): R = 0.0350; mese-: P (1) over bar; a = 9.739(2)Angstrom, b = 12.798(4)Angstrom and c = 15.322(4)Angstrom; alpha = 101.18(2)degrees; beta = 121.61(2)degrees; gamma = 90.54(2)degrees, Z = 4; V = 1795.4(8)Angstrom(3); R = 0.0417).

  DOI：

  10.1016/s0022-328x(96)06538-2