2,6-Ditert-butyl-4,4,8,8-tetramethyl-1,7-dihydro-s-indacene | 1352274-17-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2,6-Ditert-butyl-4,4,8,8-tetramethyl-1,7-dihydro-s-indacene
• 英文别名: 2,6-ditert-butyl-4,4,8,8-tetramethyl-1,7-dihydro-s-indacene
• CAS: 1352274-17-9
• 化学式: C₂₄H₃₆
• 分子量: 324.55
• InChiKey: MXILGMYHTYCTMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  水合三氯化钌 、 2,6-Ditert-butyl-4,4,8,8-tetramethyl-1,7-dihydro-s-indacene 以 氯仿 为溶剂， 以28%的产率得到cis-((η5-C5H2-t-Bu)2(CMe2)2)Ru2(μ-Cl)2Cl2
  参考文献：
  名称：

  Selective Dialkylation of a Doubly Linked Dicyclopentadiene Ligand and the Ensuing Ruthenium Complexes

  摘要：

  The selective alkylation (Me or tert-butyl) of a doubly linked dicyclopentadiene ligand is presented. The reaction of (C5H3(t-Bu))(2)(CMe2)(2) (4a,b), the di-tert-butyl-substituted ligand, with RuCl3 center dot 3H(2)O in MeOH at 140 degrees C for 15 min, followed by heating in CHCl3, gave the chloro-bridged complex cis-{(eta(5)-C5H2(t-Bu))(2)(CMe2)(2)}Ru-2(mu-Cl)(2)Cl-2 (5) in 28% yield. Reduction of 5 with Zn in MeCN gave the chloro-bridged tetrakis(acetonitrile) complex cis-[{(eta(5)-C5H2(t-Bu))(2)(CMe2)(2)}Ru-2(MeCN)(4)(mu-Cl)](+) (6) in 62% yield. Addition of AgOTf to 6 in MeCN removed the bridging chloro ligand and gave [cis-{(eta(5)-C5H2(t-Bu))(2)(CMe2)(2))Ru-2(MeCN)(6)[OTf](2) (7) in 38% yield. The X-ray crystal structures of 5 and 6 are reported.

  DOI：

  10.1021/om200854n

文献信息

• Selective Dialkylation of a Doubly Linked Dicyclopentadiene Ligand and the Ensuing Ruthenium Complexes
  作者：Patrick S. Fier、Regina R. Reinig、Janeth King、Christopher Dickerson、Robert M. Chin、Mantia Doucouré、William Brennessel

  DOI：10.1021/om200854n

  日期：2012.1.9

  The selective alkylation (Me or tert-butyl) of a doubly linked dicyclopentadiene ligand is presented. The reaction of (C5H3(t-Bu))(2)(CMe2)(2) (4a,b), the di-tert-butyl-substituted ligand, with RuCl3 center dot 3H(2)O in MeOH at 140 degrees C for 15 min, followed by heating in CHCl3, gave the chloro-bridged complex cis-(eta(5)-C5H2(t-Bu))(2)(CMe2)(2)}Ru-2(mu-Cl)(2)Cl-2 (5) in 28% yield. Reduction of 5 with Zn in MeCN gave the chloro-bridged tetrakis(acetonitrile) complex cis-[(eta(5)-C5H2(t-Bu))(2)(CMe2)(2)}Ru-2(MeCN)(4)(mu-Cl)](+) (6) in 62% yield. Addition of AgOTf to 6 in MeCN removed the bridging chloro ligand and gave [cis-(eta(5)-C5H2(t-Bu))(2)(CMe2)(2))Ru-2(MeCN)(6)[OTf](2) (7) in 38% yield. The X-ray crystal structures of 5 and 6 are reported.