3-溴丙基二氯(3-氯丙基)硅烷 | 166970-55-4

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 中文名称: 3-溴丙基二氯(3-氯丙基)硅烷
• 英文名称: 3-bromopropyl-3-chloropropyldichlorosilane
• 英文别名: (3-Bromopropyl)(dichloro)(3-chloropropyl)silane；3-bromopropyl-dichloro-(3-chloropropyl)silane
• CAS: 166970-55-4
• 化学式: C₆H₁₂BrCl₃Si
• 分子量: 298.51
• InChiKey: ZAQHODDIFSGXEF-UHFFFAOYSA-N

物化性质

• 沸点：
  261.9±20.0 °C(Predicted)
• 密度：
  1.417±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.32
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  3-溴丙基二氯(3-氯丙基)硅烷 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 正戊烷 为溶剂， 反应 6.0h， 生成 bis(cyclohexane-[b]-cyclopentadienyl)spirosilane
  参考文献：
  名称：

  ansa-Metallocene derivatives XXXII. Zirconocene complexes with a spirosilane bridge: syntheses, crystal structures and properties as olefin polymerization catalysts

  摘要：

  Chiral ansa-zirconocene complexes with a trimethylene link between the Si bridge atom and an alpha-position of each C-5 ring ligand were prepared; two representatives, with i-propyl and t-butyl groups as beta-substituents, were structurally characterized, The properties of these complexes with respect to MAO-activated propene polymerization were studied in comparison with those of their Me(2)Si-bridged analogs. The t-butyl-substituted spirosilane complex gives a polymer with relatively high content of 3,1-insertions. These increased regioirregularities appear to be associated with decreased coordination gap aperture and increased lateral extension angles of the spirosilane-bridged zirconocene complexes; this notion is supported by a molecular-mechanics analysis of alternative olefin-insertion transition states.

  DOI：

  10.1016/0022-328x(95)06073-6
• 作为产物：
  描述：

  烯丙基(二氯)(3-氯丙基)硅烷 以 quartz 为溶剂， 生成 3-溴丙基二氯(3-氯丙基)硅烷
  参考文献：
  名称：

  Racemic metallocene complexes and their preparation

  摘要：

  I公式的金属茂配合物 其中M为钛、锆、铪、钒、铌或钽，X为氟、氯、溴、碘或氢，R1至R6为氢或C1-C10烷基，Z为硅、锗、锡或碳，Y1和Y2为 II公式，R9至R16为氢或C1-C10烷基，u、v和w分别为0至7的整数，但u+v+w≥2；以及III公式的茂基化合物作为中间体。

  公开号：

  US05554776A1

文献信息

• Racemic metallocene complexes and their preparation
  申请人：BASF Aktiengesellschaft

  公开号：US05554776A1

  公开（公告）日：1996-09-10

  Metallocene complexes of the formula I ##STR1## where M is titanium, zirconium, hafnium, vanadium, niobium or tantalum, X inter alia is fluorine, chlorine, bromine, iodine or hydrogen, R.sup.1 to R.sup.6 inter alia are each hydrogen or C.sub.1 -C.sub.10 -alkyl, Z is silicon, germanium, tin or carbon, Y.sup.1 and Y.sup.2 are each ##STR2## R.sup.9 to R.sup.16 inter alia are each hydrogen or C.sub.1 -C.sub.10 -alkyl, and u, v and w are each an integer from 0 to 7, with the proviso that the sum u+v+w is .gtoreq.2, and cyclopentadienyl compounds of the formula II ##STR3## and cyclopentadienyl compound of the formula III ##STR4## as intermediates.

  I公式的金属茂配合物 其中M为钛、锆、铪、钒、铌或钽，X为氟、氯、溴、碘或氢，R1至R6为氢或C1-C10烷基，Z为硅、锗、锡或碳，Y1和Y2为 II公式，R9至R16为氢或C1-C10烷基，u、v和w分别为0至7的整数，但u+v+w≥2；以及III公式的茂基化合物作为中间体。
• ansa-Metallocene derivatives XXXII. Zirconocene complexes with a spirosilane bridge: syntheses, crystal structures and properties as olefin polymerization catalysts
  作者：Stefan Mansel、Ursula Rief、Marc-Heinrich Prosenc、Robin Kirsten、Hans-Herbert Brintzinger

  DOI：10.1016/0022-328x(95)06073-6

  日期：1996.4

  Chiral ansa-zirconocene complexes with a trimethylene link between the Si bridge atom and an alpha-position of each C-5 ring ligand were prepared; two representatives, with i-propyl and t-butyl groups as beta-substituents, were structurally characterized, The properties of these complexes with respect to MAO-activated propene polymerization were studied in comparison with those of their Me(2)Si-bridged analogs. The t-butyl-substituted spirosilane complex gives a polymer with relatively high content of 3,1-insertions. These increased regioirregularities appear to be associated with decreased coordination gap aperture and increased lateral extension angles of the spirosilane-bridged zirconocene complexes; this notion is supported by a molecular-mechanics analysis of alternative olefin-insertion transition states.