(η5-pentamethylcyclopentadienyl)(η6-1,2,3,4-tetramethylboratabenzene)ruthenium | 1162743-61-4

• 英文名称: (η5-pentamethylcyclopentadienyl)(η6-1,2,3,4-tetramethylboratabenzene)ruthenium
• CAS: 1162743-61-4
• 化学式: C₁₉H₂₉BRu
• 分子量: 369.32
• InChiKey: RMDINCSONINTSN-UHFFFAOYSA-N

计算性质

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

• 作为产物：
  描述：

  (η5-pentamethylcyclopentadienyl)(η7-1,2,3,4,5-pentamethyl-4-borataborepine)ruthenium 以 not given 为溶剂， 生成 (η5-pentamethylcyclopentadienyl)(η6-1,2,3,4-tetramethylboratabenzene)ruthenium
  参考文献：
  名称：

  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

  摘要：

  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)Ru{eta(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)Ru{eta(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.

  DOI：

  10.1016/j.jorganchem.2009.01.025