7-(Dimethylamino)-16-methyl-10-oxa-16-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,15,17,19,21-decaen-11-one;iodide | 1268162-22-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 7-(Dimethylamino)-16-methyl-10-oxa-16-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,15,17,19,21-decaen-11-one;iodide
• CAS: 1268162-22-6
• 化学式: C₂₃H₁₉N₂O₂*I
• 分子量: 482.321
• InChiKey: TZVWVJRFVUQFFV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.15
• 重原子数：
  28
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  33.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-(Dimethylamino)-16-methyl-10-oxa-16-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,15,17,19,21-decaen-11-one;iodide 在 sodium tetrahydroborate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Synthesis of Coumarin/Phenanthridine-Fused Heterocycles and Their Photochemical and Thermochromic Properties

  摘要：

  Four coumarin and phenanthridine-fused heterocycles were efficiently synthesized using base-mediated annulation of N-alkylquinolinium iodide and coumarin as a key step. One compound is found to be sensitive to light and changes color upon UV irradiation; the others are sensitive to heat and possess negative thermochromic properties. A novel light- and heat-sensitive molecular skeleton is introduced.

  DOI：

  10.1021/ol200117b
• 作为产物：
  描述：

  7-(N,N-二甲氨基)-4-羟基香豆素 在 三乙胺 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 7-(Dimethylamino)-16-methyl-10-oxa-16-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,15,17,19,21-decaen-11-one;iodide
  参考文献：
  名称：

  Synthesis of Coumarin/Phenanthridine-Fused Heterocycles and Their Photochemical and Thermochromic Properties

  摘要：

  Four coumarin and phenanthridine-fused heterocycles were efficiently synthesized using base-mediated annulation of N-alkylquinolinium iodide and coumarin as a key step. One compound is found to be sensitive to light and changes color upon UV irradiation; the others are sensitive to heat and possess negative thermochromic properties. A novel light- and heat-sensitive molecular skeleton is introduced.

  DOI：

  10.1021/ol200117b