(C₅H₄(CMe₂))(C₅H₄(SnMe₂)) | 134767-15-0

• 分子结构分类: 有机化合物 - 碳氢化合物 - 多环烃
• 英文名称: (C₅H₄(CMe₂))(C₅H₄(SnMe₂))
• 英文别名: 4-stanna-3a,4,4a,8-tetrahydro-4,4,8,8-tetramethyl-s-indacene；2,2,8,8-tetramethyl-2-stannatricyclo[7.3.0.03,7]dodeca-4,6,9,11-tetraene
• CAS: 134767-15-0
• 化学式: C₁₅H₂₀Sn
• 分子量: 319.034
• InChiKey: BNHWCCRALRIVMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.47
• 重原子数：
  16.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  (C₅H₄(CMe₂))(C₅H₄(SnMe₂)) 、 以 四氢呋喃 为溶剂， 以22%的产率得到
  参考文献：
  名称：

  Synthesis of bimetallic complexes via 4-stannatetrahydro-s-indacenes

  摘要：

  4-Stanna-8-silatetrahydro-4,4,8,8-tetramethyl-s-indacene (4) reacts with CpTiCI3 and CpZrCl3.2THF in toluene (ratio 1:1) to give monotransmetallated products CPMC12 (eta5-C5H4SiMe2C5H4SnMe2CI) (M = Ti (5), Zr (6)) in high yields. These compounds can be transformed into heteronuclear complexes of type L(n)MCp-SiMe2-CpM'L'm (ML, = TiCl2CP, M'L'm = Rh(COD), 10; ML(n) = ZrCl2CP, M'L'm = Rh(COD), 11; ML(n) = ZrCl2CP, M'L'm = TiCl2CP, 12; ML(n) = ZrCl2CP, M'L'm = ZrCl2CP*, 13) in reactions with [Rh(COD)Cl]2, CpTiCI3, and Cp*ZrCl3, respectively. Compound 4 and its heteroanalog 4-stannatetra-hydro-4,4,8,8-tetramethyl-s-indacene (14) react with CpTiCI3 (ratio 1:2) and (Cl3TiCP)2SiMe2 (16) (ratio 1:1) to give the corresponding monobridged [CpTiCl2(eta5-C5H4)]2XMe2 (X = C (15), Si (8)) and doubly-bridged (eta5:eta5-C5H4SiMe2C5H4) (eta5:eta5-C5H4XMe2C5H4)(TiCl2)2 (X = C (17), Si (18)) Ti(IV) derivatives. They may be reduced by powdered zinc in toluene to the corresponding Ti(III) complexes, [CpTiCl(eta5-C5H4)]2XMe2 (X = C (20), Si (21)) and (eta5:eta5-C5H4SiMe2C5H4) (eta5:eta5-C5H4XMe2C5H4)(TiCl)2 (X = C (22), Si (23)). Crystals of 23 are monoclinic, space group P2(1)/a with unit cell dimensions a = 16.033 (3) angstrom, b = 18.859 (4) angstrom, c = 7.997 (2) angstrom, gamma = 96.82 (2)-degrees, and Z = 4.

  DOI：

  10.1021/om00060a007
• 作为产物：
  描述：

  二甲基二氯化锡 、 2,2-dicyclopentadienylpropane 在 正丁基锂 、 四甲基乙二胺 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以57%的产率得到(C₅H₄(CMe₂))(C₅H₄(SnMe₂))
  参考文献：
  名称：

  Synthesis, structure, and fluxional behavior of 4-sila-, 4-germa-, and 4-stanna-3a,4,4a,8-tetrahydro-4,4,8,8-tetramethyl-s-indacenes

  摘要：

  4-Elementa-3a,4,4a,8-tetrahydro-4,4,8,8-tetramethyl-s-indacenes were obtained as a result of interaction of dilithiated dicyclopentadienyldimethylmethane with dichlorodimethylsilane, -germane, and -stannane, and their H-1 and C-13 NMR spectra were studied in detail. Tin and germanium derivatives in solution were found to be equilibrium mixtures of syn and anti isomers with respect to the mutual orientation of their allylic hydrogens at C(3a) and C(4a). The interconversion of these isomers occurs because of the elementotropic rearrangements. The mechanism of the processes was ascertained by use of 2D ACCORDION experiments, and the kinetic parameters were determined by means of complete line-shape analyses of the dynamic NMR spectra. Prototropic rearrangements were observed for 4-sila-3a,4,4a,8-tetrahydro-4,4,8,8-tetramethyl-s-indacene.

  DOI：

  10.1021/om00056a053

文献信息

• Reactions of (CMe2)(SnMe2) doubly bridged biscyclopentadienes with transition metal carbonyls: Double ring-to-metal migration of SnMe2
  作者：Bolin Zhu、Xiaoting Hao

  DOI：10.1016/j.jorganchem.2013.03.022

  日期：2013.7

  In the reactions of doubly bridged biscyclopentadienes (C5H3R(CMe2))(C5H3R(SnMe2)) (R = H (1c), tBu (2)) with M(CO)n (M = Fe, n = 5; M = Mo, n = 6) in refluxing xylene, the bridging SnMe2 group migrates from the ligand to the corresponding transition metal atoms to give compounds (3, meso- and rac-5, meso- and rac-7) containing the M–Sn–M units; together with the corresponding destannylated products

  在双桥双环戊二烯（C 5 H 3 R（CMe 2））（C 5 H 3 R（SnMe 2））（R = H（1c），t Bu（2））与M（CO）n（ M =铁，ñ  = 5; M =钼，ñ  = 6）在回流的二甲苯中，桥接SnMe 2从配体组迁移到相应的过渡金属原子，得到化合物（3，内消旋-和外消旋- 5，内消旋-和rac - 7）包含M-Sn-M个单位；连同相应destannylated产品（4，内消旋-和外消旋- 6，内消旋-和外消旋- 8）; 桥接组CMe 2不会迁移。提出了一个可行的SnMe 2基团迁移途径。还研究了含有M-Sn-M单元的配合物的光化学。通过X射线衍射确定cis - 2，rac - 5和meso - 7的分子结构。
• Reactions of SnMe2-bridged biscyclopentadienes with molybdenum carbonyl to give compounds containing Mo–Sn–Mo units
  作者：Bo-Lin Zhu、Yuan Li、Yun-Fei Chen、Wei Shi

  DOI：10.1016/j.poly.2012.03.011

  日期：2012.5

  In the reactions of double-bridged biscyclopentadienes (EMe2)(SnMe2)(RC5H3)(2) (E = C (1), E = Si (2 or 4), E = Ge (3)), or single-bridged biscyclopentadiene (SnMe2)((BuC5H4)-Bu-t)(2) (5) with Mo(CO)(6) in refluxing xylene, the bridging SnMe2 group migrates from the ligand to the molybdenum atoms to give compounds (6-10) containing the Mo-Sn-Mo units; the bridging group EMe2 (E = C or Si in 1, 2, or 4) does not migrate. It is noteworthy that [(eta(5)-C5H5)Mo(CO)(3)](2)SnMe2 (8) obtained from the reaction of (GeMe2)(SnMe2)(C5H4)(2) (3) with Mo(CO)(6) is a degermylated and SnMe2 group migrated product, another outcome worth mentioning is that the complex 9 is afforded only in the rac-configuration. The stability of complexes (6, 7, and 10) containing the Mo-Sn-Mo unit toward heat and light was also studied. The molecular structures of 6, 9, and 10 were determined by X-ray diffraction. (C) 2012 Elsevier Ltd. All rights reserved.