1-萘基苯基卡宾 | 115110-18-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 1-萘基苯基卡宾
• 中文别名: 亚甲基,1-萘基苯基-
• 英文名称: 1-Naphthylphenylcarbene
• CAS: 115110-18-4
• 化学式: C₁₇H₁₂
• 分子量: 216.282
• InChiKey: XKUJVXSGXBYTTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.32
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  氘代甲苯 、 1-萘基苯基卡宾 、 甲苯 生成 1, 2-二苯乙烷-D14 、 1,2-二苯乙烷
  参考文献：
  名称：

  量子力学隧穿对三重态二芳基卡宾在溶液中苄基氢原子抽象反应速率的贡献

  摘要：

  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.

  DOI：

  10.1021/j100172a033
• 作为产物：
  描述：

  1-Naphthylphenyldiazomethane 以 正庚烷 为溶剂， 生成 1-萘基苯基卡宾
  参考文献：
  名称：

  三重态-三重态荧光和1-和2-萘苯基卡宾的自旋极化

  摘要：

  DOI：

  10.1021/j100380a021