(η5-pentamethylcyclopentadienyl)(η7-1,4-bis(trimethylsilylmethyl)-2,3,5-trimethyl-7-benzyl-4-borataborepine)ruthenium | 848469-34-1

• 英文名称: (η5-pentamethylcyclopentadienyl)(η7-1,4-bis(trimethylsilylmethyl)-2,3,5-trimethyl-7-benzyl-4-borataborepine)ruthenium
• 英文别名: (η5-pentamethylcyclopentadienyl)(η7-4-borataborepine-CH2SiMe3-C3(CH3)3CHCCH2Ph)ruthenium
• CAS: 848469-34-1
• 化学式: C₃₃H₅₄B₂RuSi₂
• 分子量: 629.655
• InChiKey: PWSFRZCUDKGQFJ-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-pentamethylcyclopentadienyl)(η7-1,4-bis(trimethylsilylmethyl)-2,3,5-trimethyl-7-benzyl-4-borataborepine)ruthenium 以 not given 为溶剂， 生成 (η5-pentamethylcyclopentadienyl)(η6-1-trimethylsilylmethyl-2,3,4-trimethyl-6-benzyl-boratabenzene)ruthenium
  参考文献：
  名称：

  具有新型C5B2配体的钌茂茂类似物：（η7-4-硼硼烷）（η5-五甲基甲基环戊二烯基）钌配合物。

  摘要：

  DOI：

  10.1002/anie.200461719
• 作为产物：
  描述：

  (η(5)-2,4,5-trimethyl-1,3-bis(trimethylsilylmethylene)-2,3-dihydro-1,3-diborolyl)(η(5)-pentamethylcyclopentadienyl)ruthenium 、 3-苯-1-丙炔 以 正己烷 为溶剂， 生成 (η5-pentamethylcyclopentadienyl)(η6-1-trimethylsilylmethyl-2,3,4-trimethyl-6-benzyl-boratabenzene)ruthenium 、 (η5-pentamethylcyclopentadienyl)(η7-1,4-bis(trimethylsilylmethyl)-2,3,5-trimethyl-7-benzyl-4-borataborepine)ruthenium
  参考文献：
  名称：

  具有新型C5B2配体的钌茂茂类似物：（η7-4-硼硼烷）（η5-五甲基甲基环戊二烯基）钌配合物。

  摘要：

  DOI：

  10.1002/anie.200461719

文献信息

• Insertion of alkynes into the heterocycle of (η5-pentaalkyl-2,3-dihydro-1,3-diborolyl)(η5-pentamethylcyclopentadienyl)ruthenium: Formation and characterization of 4-borataborepine ruthenium complexes
  作者：Yong Nie、Hubert Wadepohl、Chunhua Hu、Thomas Oeser、Walter Siebert

  DOI：10.1016/j.jorganchem.2009.01.025

  日期：2009.5

  The violet ruthenium complex [(eta(5)-C5Me5)Ru(eta(5)-C3B2Me4R1)] (2a, R-1 = Me) reacts with terminal alkynes (RC)-C-2 CH to give yellow 4-borataborepine compounds [(eta(5)-C5Me5)Rueta(7)-(MeC)(3)((RB)-B-1)(2)((RC2H)-C-2)}] (4c, R-1 = Me, R-2 = Ph; 4d, R-1 = Me, R-2 = SiMe3; 4e, R-1 = Me, R-2 = H). The insertion of alkynes into the folded C3B2 heterocycle of 2a causes some steric hindrance, which yields with elimination of the distant boranediyl group the corresponding boratabenzene complexes 5 as byproducts. The analogous reactions with internal alkynes (RC)-C-2=CR2 proceed slowly and afford predominantly the boratabenzene complexes [(eta(5)-C5Me5)Rueta(6)-(MeC)(3)(MeB)((RC)-C-2)(2)}] (5f, R-2 = Et, 5g, R-2 = p-tolyl), respectively. In the latter case, three byproducts are formed: methylboronic acid and 1,2,3,4-tetra-p-tolyl-1,3-butadiene (9) due to hydrolysis of the postulated 2,3,4,5-tetra-p-tolyl-1-methylborole (10) and unexpectedly, the cationic triple-decker complex [(eta(5)-C5Me5)Ru}(2)mu, eta(7)-(MeC)(3)(MeB)(2)(CH)2}]Cl (11) having two separated CH groups. The new compounds were characterized by NMR, MS, and single-crystal X-ray studies of 4c, 5f, 9 and 11. (C) 2009 Elsevier B. V. All rights reserved.