trans-Cyclotridecen | 2484-65-3

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: trans-Cyclotridecen
• 英文别名: Cyclotridecene (E)；cyclotridecene
• CAS: 2484-65-3
• 化学式: C₁₃H₂₄
• 分子量: 180.334
• InChiKey: AVHHUCROZGSCGZ-OWOJBTEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 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：

  trans-Cyclotridecen 、 palladium dichloride 在 NaCl 、 NaOAc 作用下， 以 溶剂黄146 为溶剂， 以68%的产率得到di-μ-chlorobis(η(3)-cyclotridecenyl)dipalladium(II)
  参考文献：
  名称：

  η³-Allylpalladium Complexes from Medium-Ring Cycloalkenes

  摘要：

  The dimeric eta(3)-allylpalladium chloride complexes formed from various cycloalkenes (C-7-C-13) and some methyl-and tert-butyl-substituted cycle alkenes have be en characterized by H-1 and C-13 NMR spectroscopy and in selected cases by X-ray crystallography. The formation of syn and anti isomers in the larger ring systems is demonstrated, and complexes with a rearranged ring system are formed from tert-butylcyclodecene and tert-butylcyclododecene. The sesquiterpene, carophyllene, is shown to form an eta(3)-allyl exocyclic complex, exclusively from the (E)-double bond. Cis and trans isomers, with respect to allyl group orientation in these halo-bridged dimers, have been identified by low-temperature (190K) NMR spectroscopy, and their interconversion (Delta G(double dagger) approximate to 11 kcal/mol) is considered to involve a "cubic" eta(3)-allylpalladium chloride tetramer.

  DOI：

  10.1021/om971132c
• 作为产物：
  描述：

  cyclotrideca-1,2-diene 、 儿萘酚硼烷 、 溶剂黄146 以24%的产率得到
  参考文献：
  名称：

  RAO V. V. R.; AGARWAL S. K.; DEVAPRABHAKARA D.; CHANDRASEKARAN S., SYNTH. COMMUN. 1979, 9, NO 5, 437-442

  摘要：

  DOI：

文献信息

• RAO V. V. R.; AGARWAL S. K.; DEVAPRABHAKARA D.; CHANDRASEKARAN S., SYNTH. COMMUN. 1979, 9, NO 5, 437-442
  作者：RAO V. V. R.、 AGARWAL S. K.、 DEVAPRABHAKARA D.、 CHANDRASEKARAN S.

  DOI：——

  日期：——
• η³-Allylpalladium Complexes from Medium-Ring Cycloalkenes
  作者：Jean-Marie Rosset、Matthew P. Glenn、John D. Cotton、Anthony C. Willis、Colin H. L. Kennard、Karl A. Byriel、Bruce H. Riches、William Kitching

  DOI：10.1021/om971132c

  日期：1998.5.1

  The dimeric eta(3)-allylpalladium chloride complexes formed from various cycloalkenes (C-7-C-13) and some methyl-and tert-butyl-substituted cycle alkenes have be en characterized by H-1 and C-13 NMR spectroscopy and in selected cases by X-ray crystallography. The formation of syn and anti isomers in the larger ring systems is demonstrated, and complexes with a rearranged ring system are formed from tert-butylcyclodecene and tert-butylcyclododecene. The sesquiterpene, carophyllene, is shown to form an eta(3)-allyl exocyclic complex, exclusively from the (E)-double bond. Cis and trans isomers, with respect to allyl group orientation in these halo-bridged dimers, have been identified by low-temperature (190K) NMR spectroscopy, and their interconversion (Delta G(double dagger) approximate to 11 kcal/mol) is considered to involve a "cubic" eta(3)-allylpalladium chloride tetramer.