carbon monoxide;chromium;3-methyl-1H-indene | 215866-55-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: carbon monoxide;chromium;3-methyl-1H-indene
• CAS: 215866-55-0；69074-14-2
• 化学式: C₁₃H₁₀CrO₃
• 分子量: 266.217
• InChiKey: JMILWDBYNCFWIR-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：

  di-μ-chloro-bis(1,5-cyclooctadiene)dirhodium 、 carbon monoxide;chromium;3-methyl-1H-indene 在 potassium hydride 作用下， 以 四氢呋喃 为溶剂， 以40%的产率得到Cr(CO)3-(1-methyl-indenyl)-Rh(cyclooctadiene)
  参考文献：
  名称：

  Indenyl hapticity in (η-indenyl-RhL2) and Cr(CO)3(μ-η:η-indenyl-RhL2) complexes. A 1H, 13C and 103Rh NMR spectroscopic study

  摘要：

  A series of indenyl- and (Cr(CO)3)indenyl-RhL2 complexes (L2 = COD, (CO)2) bearing substituents on both the six- and five-membered ring have been synthesized and fully characterized, and their H-1, C-13 and Rh-103 NMR spectra recorded. The changes of the spectral parameters caused by the introduction of the Cr(CO)3 unit suggest significant modifications of the electronic distribution in the indenyl moiety induced in the ground state. The increased reactivity in the ligand exchange reactions ('extra-indenyl effect') and the strong modifications of the catalytic and spectroscopic properties of the Rh center itself indicate a substantial weakening of the coordinative bond between rhodium and the indenyl moiety in the heterobimetallic species as expected on going from an eta5 towards a more pronounced eta3 coordination mode.

  DOI：

  10.1016/s0020-1693(00)88108-6
• 作为产物：
  描述：

  (η(6)-1-endo-methylindene)chromium tricarbonyl 以 氘代苯 为溶剂， 生成 carbon monoxide;chromium;3-methyl-1H-indene
  参考文献：
  名称：

  σ-甲基-（η5-茚基）铬三羰基的理高环间触觉重排。实验动力学和理论DFT研究

  摘要：

  摘要在30–60°C的C 6 D 6溶液中，σ-甲基-（η5-茚基）三羰基铬（III）定量重排为η6 -1-内-甲基茚基）三羰基铬（IV）。在（III）中茚基配位体2或3的甲基附着对该弹跳的环间触觉重排的激活参数没有影响（ΔG＃= 23.6 kcal mol -1;ΔH＃= 18.9±0.2 kcal mol- 1；ΔS＃＝ -18.6±0.2cal K -1 mol -1）。（IV）在60–120°处通过两个连续的[1,5]进一步不可逆地异构化为具有较高活化能垒（ΔG＃= 28.5±0.1 kcal mol -1）的（ν6 -3-甲基茚）三羰基铬（V） σ-氢转移。两种重排的机制已使用扩展泛集的密度泛函理论（DFT）计算进行了详细研究。计算表明，重排（III）→（IV）分两个步骤进行。甲基从铬迁移到茚基配体的1位是决定速率的步骤，导致形成16电子中间体（VII）。计算出的活化势垒（E a

  DOI：

  10.1016/s0020-1693(98)00258-8

文献信息

• Hydroboration, followed by water addition of benchrotrenic alkenes. Formal dihydrogen addition
  作者：Bertrand Caro、Marie-Claude Sénéchal-Tocquer、Denis Sénéchal、Françoise Robin-le Guen

  DOI：10.1016/s0022-328x(96)06329-2

  日期：1996.11

  The reaction of the BH3-THF reagent with benchrotrenic alkenes, followed by a water addition and the formation of hydrogenated products are described. This formation and the regioselectivity observed is a consequence of the electron withdrawing effect of the Cr(CO)3 group.

  描述了BH 3 -THF试剂与替丁烯属烯烃的反应，随后加水并形成氢化产物。观察到的这种形成和区域选择性是Cr（CO）3基团的电子吸收作用的结果。
• Voie d’accès aux sels de pyrylium γ-benchrotréniques synthèse des premiers sels de pyrylium organométalliques à cycles condensés Etude RMN et application à la synthèse de nouveaux complexes du benzène chrometricarbonyle
  作者：F. Robin-Le Guen、M.C. Senechal-Tocquer、D. Senechal、B. Caro

  DOI：10.1016/s0022-328x(97)00369-0

  日期：1997.1

  Diacetylation of benehrotrenic alkenes by acetic anhydride and weak Lewis acid (ZnCl(2), BF(3)-OEt(2)) is reported. A series of gamma-benchrotrenic pyrylium salts is obtained together with the mono and the diacetylated products. The first organometallic fused rings pyrylium sails are obtained. In connection with the electron donating effect of the Cr (CO)(3) group, the influence of rings deconjugation on NMR data is discussed. Finally the reaction of acyclic and cyclic gamma-benchrotrenic pyrylium salts with nucleophiles is described. (C) 1997 Elsevier Science S.A.