(1,1,4,4,5,5,8,8-octamethyl-1,2,3,4,5,6,7,8-octahydro-9-anthryl)(phenyl)diazomethane | 443926-47-4

• 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)diazomethane
• 英文别名: 9-[Diazo(phenyl)methyl]-1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracene
• CAS: 443926-47-4
• 化学式: C₂₉H₃₈N₂
• 分子量: 414.634
• InChiKey: ZYIWNVGAPRQLRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  2
• 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)diazomethane 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
• 作为产物：
  描述：

  在 lithium aluminium tetrahydride 作用下， 生成 (1,1,4,4,5,5,8,8-octamethyl-1,2,3,4,5,6,7,8-octahydro-9-anthryl)(phenyl)diazomethane
  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