{η5-C5H4Si(CH3)3}2Ti{CC(t-C4H9)}2 | 128247-53-0

• 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
• 英文名称: {η5-C5H4Si(CH3)3}2Ti{CC(t-C4H9)}2
• 英文别名: (η(5)-C5H4SiMe3)2Ti(C.tplbond.C-(t)Bu)2；(η(5)-C5H4SiMe3)2Ti(C*C(t)Bu)2；cyclopenta-2,4-dien-1-yl(trimethyl)silane;3,3-dimethylbut-1-yne;titanium(4+)
• CAS: 128247-53-0
• 化学式: C₂₈H₄₄Si₂Ti
• 分子量: 484.708
• InChiKey: DPGAXKKPNOGUNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  {η5-C5H4Si(CH3)3}2Ti{CC(t-C4H9)}2 、 copper(I) bromide 以 四氢呋喃 为溶剂， 以92%的产率得到(η(5)-C5H4SiMe3)2Ti(C*C(t)Bu)2CuBr
  参考文献：
  名称：

  Alkinstabilisierte单体Organo-Kupfer（I）-Verbindungen als Organyl-Transfer Reagenzien

  摘要：

  单体有机铜（I）物质的反应化学{钛[Ti]（CCR 1）2 } {CUR钛[Ti] =（η 5 -C 5 H ^ 4森达3）2的Ti; R 1＝ SiMe 3：1a，R ＝ CH 3； n ＝1。1b，R ＝ C 6 H 5；R ＝ C 6 H 5。1c，R ＝ C 6 H 4 OMe-4；1D，R =CC吨卜; 1E，R =CCSiMe 3 ; [R 1 =吨卜：图8a，R =CCSiMe 3; 参照图8b，描述了朝向不同的无机和有机试剂的R ＝ CH 3 }。

  DOI：

  10.1016/s0022-328x(00)00771-3
• 作为产物：
  描述：

  (η(5)-C5H4SiMe3)2Ti(C*C-(t)Bu)2Au(C*C-(t)Bu) 以 甲苯 为溶剂， 生成 {η5-C5H4Si(CH3)3}2Ti{CC(t-C4H9)}2
  参考文献：
  名称：

  由有机金属1,4-二炔稳定的三角平面配位的有机金（I）配合物：反应行为，结构和键合†

  摘要：

  双（炔基）二茂钛钛[Ti]的反应（C⋮CR 1）（C⋮CR 2）（钛[Ti] =（η 5 -C 5 H ^ 4森达3）2的Ti; 1A - [R 1 = R 2 = SiMe 3 ; 1b R 1 = R 2 = t Bu; 1c R 1 = SiMe 3，R 2 = t Bu）（C 5 H 5 N）AuCl 3（2），LAuCl（5a，L = PPh3；5b，L = SMe 2）以及（Me 2 S）AuR 3（6b，R 3 = C⋮CSiMe 3 ; 6c，R 3 = C⋮C t Bu; 6d，R 3 = C 6 H 2（CF 3）3 -2,4,6; 6e，R 3 = Me）被描述。用（C 5 H 5 N）AuCl 3（2）处理[Ti]（C⋮CSiMe 3）2（1a））与Au（0）一起生成[Ti] Cl 2（3）和Me 3 SiC⋮C-C⋮CSiMe 3（4a）。但是，线性二配位氯化金（

  DOI：

  10.1021/om970302i

文献信息

• Monomeric Alkyne-Stabilized Complexes of Organo−Copper(I) and −Silver(I)
  作者：Heinrich Lang、Katrin Köhler、Gerd Rheinwald、Laszlo Zsolnai、Michael Büchner、Alexander Driess、Gottfried Huttner、Joachim Strähle

  DOI：10.1021/om9708687

  日期：1999.2.1

  LiC6H2(CF3)3-2,4,6 or BrMgC6H2Ph3-2,4,6, the silver(I) methyl species [Ti](C⋮CR1)2}AgMe (9a, R1 = SiMe3; 9b, R1 = tBu) can be synthesized by using 5a, 5b, 5d, or 5e as starting materials. While compounds 6−8 are stable under the reaction conditions applied, 9a already starts to decompose at low temperature:  The heterobimetallic titanium−silver acetylide [Ti](C⋮CSiMe3)(C⋮CAg)}2 (10) is formed by nucleophilic substitution

  异核的合成钛[Ti（C⋮CR 1）2 } MX钛[Ti] =（η 5 -C 5 H ^ 4森达3）2的Ti; M ＝ Cu，R 1＝ SiMe 3：  4a，X ＝ SCF 3。4b，X ＝ SEt；M = Ag，R 1 = t Bu：  5a， X = OC（O）Me；5e，X = NO 3 ; M ＝ Ag，R 1＝ SiMe 3：  5b，X ＝ OC（O）Me。5c，X ＝ OC（O）Ph；5d，X = NO 3描述。这些化合物与[Ti]（C⋮CR 1）2 } CuX（4c，R 1 = SiMe 3，X = SC 6 H 4 CH 2 NMe 2 -2; 4d，R 1 = t Bu，X = SC 6 H 4 CH 2 NMe 2 -2）可用于制备各种不同的有机铜（I）和-银（I）物种。钛-铜配合物[Ti]（C⋮CR 1）2 } CuR 2 [R 1 = SiMe 3：  6a，R
• Synthese und Reaktionsverhalten monomerer Bis(η2-Alkin)-Kupfer(I)-Fluorid- und-Kupfer(I)-Hydrid-Komplexe
  作者：Katrin Köhler、Hans Pritzkow、Heinrich Lang

  DOI：10.1016/s0022-328x(97)00192-7

  日期：1998.2

  Monomeric bis(η2-alkyne) copper(I) hydride and copper(I) fluoride complexes [Ti](CCR)2}CuX [Ti]=(η5-C5H4SiMe3)2Ti; R=SiMe3, 2a X=F, 5a X=H; R=tBu, 2b X=F, 5b X=H} can be in-situ generated: While the copper(I) fluorides 2a and 2b are formed by the reaction of [Ti](CCR)2}CuSC6H4CH2NMe2-2 (1a R=SiMe3, 1b R=tBu) with nBu4NF, the isostructural copper(I) hydrides 5a and 5b can be obtained via β-hydrogen

  单体的双（η 2 -alkyne）铜（I）氢化物和铜（I），氟化络合物钛[Ti]（CCR）2 }的CuX [钛] =（η 5 -C 5 H ^ 4森达3）2的Ti ; R =森达3，图2a X = F，5A X = H; R = t Bu，2b X = F，5b X = H}可以原位生成：氟化铜（I）2a和2b是通过[Ti]（CCR）2 } CuSC的反应形成的6 H 4 CH 2 NMe 2 -2（图1A R =森达3，1B R =吨卜）与Ñ卜4 NF，同构铜（I）的氢化物5A和5B能够获得通过β从钛[Ti]（CCR） -氢转移反应2 } CuEt （图4a R =森达3，图4b R =吨丁基）。然而，分子2和5重新排列在溶液中，这取决于配体的炔基本：化合物2A和图5a，含有我3 SiCC基团经历作为C裂解（炔基）Si- σ键; 消除的Me 3六（X = F，H）中观察到
• Lang, Heinrich; Seyfert, Dietmar, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1990, vol. 45, # 2, p. 212 - 220
  作者：Lang, Heinrich、Seyfert, Dietmar

  DOI：——

  日期：——
• Lang, H.; Meichel, E.; Stein, Th., Journal of Organometallic Chemistry, 2002, vol. 664, p. 150 - 160
  作者：Lang, H.、Meichel, E.、Stein, Th.、Weber, C.、Kralik, J.、et al.

  DOI：——

  日期：——
• C–C-bond formation in reactions of [(η5-C5H4SiMe3)2Ti(C☰CR1)2]CuR with acyl chlorides and anhydrides
  作者：W Frosch

  DOI：10.1016/s0022-328x(00)00793-2

  日期：2001.4.22

  The chemical behaviour of selected [Ti](C equivalent to CR1)(2)}CuR complexes (la: R-1 = SiMe3, R = CH3: Ib: R-1 = Bu-t, R = CH3; Ic: R-1 = Bu-t, R = C equivalent to CSiMe3) towards a number of different acyl chlorides and anhydrides is described. The reaction of la or Ib with (RC)-C-2(O)Cl (2a: R-2 = CH3, 2b: R-2 = C6H5) produces the ketones (RC)-C-2(O)R (4a: a = R-2 = CH3; 4b: R = CH3, R-2 = C6H5; 4c: R = C equivalent to CSiMe3, R-2 = CH3, 4d: R = C equivalent to CSiMe3, R-2 = C6H5) along with [Ti](C equivalent to CR1)(2)}CuCl (3a: R-1 = SiMe3, 3b: R-1 = Bu-t). However, on treatment of Ih or Ic with [CH3C(O)](2)O (5a) the ketones 4a or 4c are formed along with the copper(I) acetate complex [Ti](C equivalent toC(t)Bu)(2)}CuOC(O)CH3 (6), white the reaction of Ib or Ic with CH3CO2H (5b) yields methane and 6. In addition, when lb or Ic are reacted with maleic (7), phthalic (9a) or tetrachlorophthalic anhydride (9b) the copper(I carboxylates [Ti](C equivalent toC(t)Bu)(2)}CuOC(O)-cis-CH=CH-C(O)R (8a: R = CH3, 8b: R = C equivalent to CSiMe3) and [Ti](C equivalent toC(t)Bu)(2)}CuOC(O)-C6H4-nCln-2-C(O)R (10a: n = 0, R = CH3; 10b: ii = 0, R = C equivalent to CSiMe3: 10c: n = 4, R = C equivalent to CSiMe3) are produced, which upon addition of, e.g. HBr afford via cleavage of the copper-oxygen sigma -bond [Ti](C equivalent toC(t)Bu)(2)}CuBr (3c) and the corresponding carboxylic acids cis-HO2C-CH=CH-C(O)CH3 (11a) or HO2C-C6H4-2C(O)CH3 (11b), respectively. (C) 2001 Elsevier Science B.V. All rights reserved.