烯丙基(二氯)(3-氯丙基)硅烷 | 166970-54-3

• 物质功能分类: 化学试剂 - 硅烷试剂
• 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: 烯丙基(二氯)(3-氯丙基)硅烷
• 中文别名: 烯丙基氯丙基二氯硅烷；烯丙基(氯丙基)二氯硅烷
• 英文名称: allyldichloro(3-chloropropyl)silane
• 英文别名: 4,4,7-trichloro-4-sila-1-heptene；allyl-3-chloropropyldichlorosilane；Allyl(chloropropyl)dichlorosilane；dichloro-(3-chloropropyl)-prop-2-enylsilane
• CAS: 166970-54-3
• 化学式: C₆H₁₁Cl₃Si
• mdl: MFCD00270957
• 分子量: 217.598
• InChiKey: STFRHHCUWMNSIY-UHFFFAOYSA-N

物化性质

• 沸点：
  60-3°C/0.6mmHg
• 密度：
  1.130±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.81
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• TSCA：
  No

反应信息

• 作为反应物：
  描述：

  烯丙基(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：

  3-氯丙基三氯硅烷 、 烯丙基溴化镁 以 乙醚 为溶剂， 以49%的产率得到烯丙基(二氯)(3-氯丙基)硅烷
  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

文献信息

• Allylalkylsilanes and their preparation methods
  申请人：Korea Institute of Science and Technology

  公开号：US05420323A1

  公开（公告）日：1995-05-30

  The present invention relates to allylakylsilanes represented by the general formula (III) and their preparation methods by reacting allylsilanes represented by the formula I with olefin compounds represented by the formula II in the presence of hydrosilation catalysts such as chloroplatinic acid, platinum on silica, tributyl amine and Pd, Rh, Ni metals. ##STR1## wherein X represents independently chloro or alkoxy (C.sub.1-C.sub.4) and R is selected from the group consisting of Ph, CH.sub.2 Cl, C.sub.n H.sub.2n CH.sub.3 (n=0-15), Si(Me).sub.m Cl.sub.3-m (m=0-3), CF.sub.3, CH.sub.2 CF.sub.3, CN, CH.sub.2 CN, ##STR2## CH.sub.2 Si(Me).sub.m CL.sub.3-m (m=0-3), Si(Me).sub.m (OR.sup.1).sub.3-m (m=0-3), CH.sub.2 Si(Me).sub.m (OR.sup.1).sub.3-m (m=0-3), (wherein Me is methyl and R.sup.1 is methoxy or ethoxy group), Ph-CH.sub.2 Cl, and cyclohexenyl group.

  本发明涉及一种由通式（III）表示的烯丙基硅烷及其制备方法，通过在氢硅化催化剂（如氯铂酸、硅胶负载铂、三丁基胺和Pd、Rh、Ni金属）的存在下，将通式I表示的烯丙基硅烷与通式II表示的烯烃化合物反应制备而成。其中，X独立地表示氯或烷氧基（C1-C4），R选自Ph、CH2Cl、CnH2nCH3（n=0-15）、Si(Me)mCl3-m（m=0-3）、CF3、CH2CF3、CN、CH2CN、(CH2)2Si(Me)mCl3-m（m=0-3）、Si(Me)m(OR1)3-m（m=0-3）、(CH2)2Si(Me)m(OR1)3-m（m=0-3）（其中Me为甲基，R1为甲氧基或乙氧基基团）、Ph-CH2Cl和环己烯基团。
• 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。
• CN117105970
  申请人：——

  公开号：——

  公开（公告）日：——
• 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.