(η5-pentamethylcyclopentadienyl)(η7-1,2,3,4,5-pentamethyl-7-phenyl-4-borata-borepine)ruthenium | 1162743-38-5

• 英文名称: (η5-pentamethylcyclopentadienyl)(η7-1,2,3,4,5-pentamethyl-7-phenyl-4-borata-borepine)ruthenium
• 英文别名: Cp(*)Ru(η7-7-PhC5B2Me5H)
• CAS: 1162743-38-5
• 化学式: C₂₆H₃₆B₂Ru
• 分子量: 471.264
• InChiKey: FOQDPDUTJCFYNM-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)(η7-1,2,3,4,5-pentamethyl-7-phenyl-4-borata-borepine)ruthenium 以 not given 为溶剂， 生成 (η5-pentamethylcyclopentadienyl)(η6-1,2,3,4-tetramethyl-6-phenyl-boratabenzene)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
• 作为产物：
  描述：

  (η(5)-pentamethyl-2,3-dihydro-1,3-diborolyl)(η(5)-pentamethylcyclopentadienyl)ruthenium 、 苯乙炔 以 正己烷 为溶剂， 以71%的产率得到(η5-pentamethylcyclopentadienyl)(η7-1,2,3,4,5-pentamethyl-7-phenyl-4-borata-borepine)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

文献信息

• Cationic Triple‐Decker Complexes with a Bridging 4‐Borataborepine Ligand: Synthesis, Structure, and Bonding
  作者：Elena V. Mutseneck、Hubert Wadepohl、Alexander R. Kudinov、Walter Siebert

  DOI：10.1002/ejic.200800008

  日期：2008.7

  Cationic 30 VE triple-decker complexes [Cp*Ru(μ-η 7 :η 7 -C 5 B 2 Me 6 H)ML] + [ML = Co(C 4 Me 4 ) (3a), RuCp* (4a), Rh(cod) (7a), and Ir(cod) (8a)] with a bridging hexamethyl-4-borataborepine ligand were obtained by electrophilic stacking of the sandwich compound Cp*Ru(η 7 -C 5 B 2 Me 6 H) (2a) with [ML] + complex fragments. The reaction of the phenyl-substituted derivative Cp*Ru(η 7 -7-PhC 5 B 2 Me 5 H)

  阳离子 30 VE 三层复合物 [Cp*Ru(μ-η 7 :η 7 -C 5 B 2 Me 6 H)ML] + [ML = Co(C 4 Me 4 ) (3a), RuCp* (4a)通过夹心化合物 Cp*Ru(η 7 -C 5 B 2 Me 6 H) 的亲电堆叠获得具有桥连六甲基-4-硼硼酸硼配体的 Rh(cod) (7a) 和 Ir(cod) (8a)] ) (2a) 带有 [ML] + 复杂片段。苯基取代的衍生物 Cp*Ru(η 7 -7-PhC 5 B 2 Me 5 H) (2b) 与 [(C 4 Me 4 )Co(MeCN) 3 ] + 的反应选择性地提供三层复合物[Cp*Ru(μ-η 7 :η 7 -7-PhC 5 B 2 Me 5 H)Co(C 4 Me 4 )] + (3b)，而与 [Cp*RuCl] 4 /TlBF 4 的反应类似产生 1:3 的阳离子混合物，三层 [Cp*Ru(μ-η