Hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecane | 74999-11-4

• 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: Hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecane
• CAS: 74999-11-4
• 化学式: C₁₄H₁₈
• 分子量: 186.297
• InChiKey: FJRNKOWTGGSIPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  Hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecane 在 溴 作用下， 以 四氯化碳 为溶剂， 反应 1.0h， 以36%的产率得到6,9-dibromopentacyclo[8.2.1.1^2,5.0^3,7.0^8,12]tetradecane
  参考文献：
  名称：

  Bromination of Binor-S

  摘要：

  AbstractBromination of binor‐S resulted in a mixture of products containing several pairs of isomers. Three major processes were found to be involved in the reaction mechanism, i.e., bromination, hydrobromination, and dehydrobromination. The structures of nine compounds derived from dibromide 6 were identified by spectroscopic methods. Yields between isomers were rationalized by comparison of their relative strain energies calculated by force field model (MM2). The crystal structures of a tribromide (9) and a pentabromide (15) were solved by X‐ray diffraction analyses. Their crystal packing patterns indicated the existence of attractive interactions among the bromine atoms.

  DOI：

  10.1002/jccs.199700008
• 作为产物：
  描述：

  binor-S 在 aluminum oxide 、 镍 氢气 作用下， 以 正己烷 为溶剂， 200.0 ℃ 、8.0 MPa 条件下， 反应 24.0h， 以35.6%的产率得到Hexacyclo[9.2.1.02,7.03,5.04,8.09,13]tetradecane
  参考文献：
  名称：

  Dzhemilev; Khusnutdinov; Muslimov, Petroleum Chemistry, 1996, vol. 36, # 6, p. 507 - 512

  摘要：

  DOI：

文献信息

• Strained double bonds in two types of polycyclic hydrocarbons
  作者：Chin-Chuan Wei、Tahsin J. Chow、Ya-Ping Yang、Yao-Jung Chen

  DOI：10.1016/s0040-4020(01)80363-x

  日期：1993.3

  compounds 1 and 2 with pyramidalized double bond are prepared from their corresponding halides. Both of them are stable at ambient temperature but gradually transform to the epoxides upon exposing to air. Cycloaddition with either anthracene or cyclopentadiene yield the corresponding [4 + 2] adducts.

  由它们相应的卤化物制备具有金字塔状双键的两个多环化合物1和2。两者在环境温度下均稳定，但暴露于空气后逐渐转变成环氧化物。与蒽或环戊二烯进行环加成反应可生成相应的[4 + 2]加合物。
• HOLLOWOOD F. S.; MCKERVEY M. A.; HAMILTON R.; ROONEY J. J., J. ORG. CHEM., 1980, 45, NO 24, 4954-4958
  作者：HOLLOWOOD F. S.、 MCKERVEY M. A.、 HAMILTON R.、 ROONEY J. J.

  DOI：——

  日期：——
• Dzhemilev; Khusnutdinov; Muslimov, Petroleum Chemistry, 1996, vol. 36, # 6, p. 507 - 512
  作者：Dzhemilev、Khusnutdinov、Muslimov、Mazitov

  DOI：——

  日期：——
• Bromination of Binor-S
  作者：Tahsin J. Chow、Yi-Lung Chen、Kuan-Jiuh Lin、Yu-Wen Wang、Chun-Lien Li

  DOI：10.1002/jccs.199700008

  日期：1997.2

  AbstractBromination of binor‐S resulted in a mixture of products containing several pairs of isomers. Three major processes were found to be involved in the reaction mechanism, i.e., bromination, hydrobromination, and dehydrobromination. The structures of nine compounds derived from dibromide 6 were identified by spectroscopic methods. Yields between isomers were rationalized by comparison of their relative strain energies calculated by force field model (MM2). The crystal structures of a tribromide (9) and a pentabromide (15) were solved by X‐ray diffraction analyses. Their crystal packing patterns indicated the existence of attractive interactions among the bromine atoms.