2,6-dimethyleneadamantane | 25106-92-7

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 2,6-dimethyleneadamantane
• 英文别名: 2,6-dimethylenetricyclo<3.3.1.1^3,7>decane；2,6-Dimethylenadamantan；2,6-Dimethylideneadamantane
• CAS: 25106-92-7
• 化学式: C₁₂H₁₆
• 分子量: 160.259
• InChiKey: QFMXISJNFAIABG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  4.0
• 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：

  2,6-dimethyleneadamantane 在 palladium on activated charcoal 氢气 作用下， 生成 2,6-dimethyladamantane
  参考文献：
  名称：

  Substituent effects on carbon-13 chemical shifts in 2,6-disubstituted adamantanes

  摘要：

  AbstractCarbon‐13 NMR spectral data for a series of symmetrical 2,6‐disubstituted adamantanes (O, CH2, CH3, OH, OCOCH3) are presented. The substituent effects on 13C chemical shifts are additive, except for carbons 2 and 6 in 2,6‐adamantanedione. The non‐additivity of the substituent effect in the diketone can be interpreted in terms of a through‐space interaction of the carbonyl π‐electrons; the additivity in the other derivatives indicates that there is no appreciable interaction between the substituents.

  DOI：

  10.1002/mrc.1270170305
• 作为产物：
  描述：

  2,6-dimethyladamantane-2,6-diol 在 苯酐 作用下， 生成 2,6-dimethyleneadamantane
  参考文献：
  名称：

  Janku,J.; Landa,S., Collection of Czechoslovak Chemical Communications, 1970, vol. 35, p. 375 - 377

  摘要：

  DOI：

文献信息

• Bishop, Roger; Lee, Gum-Hee, Australian Journal of Chemistry, 1987, vol. 40, # 2, p. 249 - 255
  作者：Bishop, Roger、Lee, Gum-Hee

  DOI：——

  日期：——
• Janku,J.; Landa,S., Collection of Czechoslovak Chemical Communications, 1970, vol. 35, p. 375 - 377
  作者：Janku,J.、Landa,S.

  DOI：——

  日期：——
• Substituent effects on carbon-13 chemical shifts in 2,6-disubstituted adamantanes
  作者：Zdenko Majerski、Vladimir Vinković、Zlatko Meić

  DOI：10.1002/mrc.1270170305

  日期：1981.11

  AbstractCarbon‐13 NMR spectral data for a series of symmetrical 2,6‐disubstituted adamantanes (O, CH2, CH3, OH, OCOCH3) are presented. The substituent effects on 13C chemical shifts are additive, except for carbons 2 and 6 in 2,6‐adamantanedione. The non‐additivity of the substituent effect in the diketone can be interpreted in terms of a through‐space interaction of the carbonyl π‐electrons; the additivity in the other derivatives indicates that there is no appreciable interaction between the substituents.