carbene anthronylidene | 19584-41-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: carbene anthronylidene
• 英文别名: anthronylidene；10-oxo-10H-anthracene-9,9-diyl；Anthronyliden-carben
• CAS: 19584-41-9
• 化学式: C₁₄H₈O
• 分子量: 192.217
• InChiKey: OMHCQPHKCKZRPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.71
• 重原子数：
  15.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  carbene anthronylidene 在 氧气 作用下， 以 苯 为溶剂， 生成
  参考文献：
  名称：

  Chemical and physical properties of anthronylidene

  摘要：

  DOI：

  10.1021/jo00252a023
• 作为产物：
  描述：

  10-重氮基-9(10H)-蒽酮 生成 carbene anthronylidene
  参考文献：
  名称：

  Quintet state triplet-triplet radical pairs. 2

  摘要：

  DOI：

  10.1021/ja00544a052

文献信息

• Thurner, Joern-Uwe; Stoesser, Reinhard; Hinzmann, Bernd, Zeitschrift fur Chemie, 1988, vol. 28, # 2, p. 62 - 63
  作者：Thurner, Joern-Uwe、Stoesser, Reinhard、Hinzmann, Bernd、Tomaschewski, Georg

  DOI：——

  日期：——
• Contributions of quantum mechanical tunneling to the rate of benzylic hydrogen atom abstraction reactions of triplet diarylcarbenes in fluid solution
  作者：Myron W. Shaffer、Elisa Leyva、N. Soundararajan、Edith Chang、David H. S. Chang、Vince Capuano、Matthew S. Platz

  DOI：10.1021/j100172a033

  日期：1991.9

  Kinetic isotope effects for the benzylic hydrogen atom abstraction reactions of the triplet states of several diarylcarbenes with toluene-toluene-d8 in fluid solution were determined by measuring the ratio of 1,2-diphenylethane to 1,2-diphenylethane-d7 produced in the reaction. Eight carbenes were studied: dibenzocycloheptadienylidene (DBC); 1-naphthylphenylcarbene (1-NPC), 4-biphenylphenlcarbene (BPC), 2-chlorodiphenylcarbene (C1DPC), 2-trifluoromethyldiphenylcarbene (FDPC), fluorenylidene (F1), anthronylidene (AN), and diphenylcarbene (DPC). For 1-NPC, C1DPC, and FDPC the differential kinetic isotope effects were much larger than predicted by complete loss of all zero point energy in the transition state, indicating that there is a contribution of quantum mechanical tunneling to the H(D) atom transfer process. For DPC, DBC, and PBC the differential kinetic isotope effects were barely consistent with a completely classical atom-transfer reaction. For F1 and AN the data were completely consistent with a purely classical atom-transfer process.