(1,1,4,4,5,5,8,8-octamethyl-1,2,3,4,5,6,7,8-octahydro-9-anthryl)(phenyl)carbene | 443926-48-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: (1,1,4,4,5,5,8,8-octamethyl-1,2,3,4,5,6,7,8-octahydro-9-anthryl)(phenyl)carbene
• 英文别名: 1,1,4,4,5,5,8,8-octamethyl-10-(phenylmethylidene)-3,6,7,9-tetrahydro-2H-anthracen-9-ide
• CAS: 443926-48-5
• 化学式: C₂₉H₃₈
• 分子量: 386.621
• InChiKey: RYXVWMIZCPQIIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  29
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (1,1,4,4,5,5,8,8-octamethyl-1,2,3,4,5,6,7,8-octahydro-9-anthryl)(phenyl)carbene 以 苯 为溶剂， 生成 (1S,2aR)-2a,5,5,7,7,10,10-Heptamethyl-1-phenyl-1,2,2a,3,4,5,7,8,9,10-decahydro-aceanthrylene 、 (1S,2aS)-2a,5,5,7,7,10,10-Heptamethyl-1-phenyl-1,2,2a,3,4,5,7,8,9,10-decahydro-aceanthrylene
  参考文献：
  名称：

  Generation, Direct Observation, and Kinetics of Triplet 9-(1,1,4,4,5,5,8,8- Octamethyl-1,2,3,4,5,6,7,8-octahydro- anthryl)phenylcarbene

  摘要：

  Reactivities of the title triplet carbene were compared with those of the "untied" counterpart, [2,4,6-tris(tert) butylphenyl](phenyl)carbene. An appreciable increase in the stability of triplet carbene is noted by tuning the distance between the o-hydrogen and the carbene center.

  DOI：

  10.1021/ol026119p
• 作为产物：
  描述：

  C-(1,1,4,4,5,5,8,8-Octamethyl-1,2,3,4,5,6,7,8-octahydro-anthracen-9-yl)-C-phenyl-methyleneamine 在 lithium aluminium tetrahydride 、 dinitrogen tetraoxide 作用下， 以 various solvent(s) 为溶剂， 反应 0.17h， 生成 (1,1,4,4,5,5,8,8-octamethyl-1,2,3,4,5,6,7,8-octahydro-9-anthryl)(phenyl)carbene
  参考文献：
  名称：

  Generation, Direct Observation, and Kinetics of Triplet 9-(1,1,4,4,5,5,8,8- Octamethyl-1,2,3,4,5,6,7,8-octahydro- anthryl)phenylcarbene

  摘要：

  Reactivities of the title triplet carbene were compared with those of the "untied" counterpart, [2,4,6-tris(tert) butylphenyl](phenyl)carbene. An appreciable increase in the stability of triplet carbene is noted by tuning the distance between the o-hydrogen and the carbene center.

  DOI：

  10.1021/ol026119p