(E)-3-(4-bromostyryl)-9-methyl-9H-carbazole | 1453837-37-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (E)-3-(4-bromostyryl)-9-methyl-9H-carbazole
• CAS: 1453837-37-0
• 化学式: C₂₁H₁₆BrN
• 分子量: 362.269
• InChiKey: JRXBCKIZIRYSTH-VOTSOKGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.26
• 重原子数：
  23.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  4.93
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (E)-3-(4-bromostyryl)-9-methyl-9H-carbazole 在 碘 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 2.0h， 以76%的产率得到
  参考文献：
  名称：

  Synthesis, X-ray analysis and photophysical properties of a new N-containing pentacyclic helicene

  摘要：

  A new helically chiral pentacyclic system containing one pyrrole ring was prepared in a good yield and purity via a three-step sequence involving Heck coupling and classical oxidative photocyclization. X-ray crystal structure analysis indicated that the conformation resembled that of unsubstituted pentahelicene, the idealized symmetry of which is C-2. The optical properties of the pentacyclic helicene were investigated and show interesting behaviour. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.07.036
• 作为产物：
  描述：

  N-甲基咔唑 在 N-溴代丁二酰亚胺(NBS) 、 sodium acetate 作用下， 以 氯仿 、 N,N-二甲基乙酰胺 为溶剂， 反应 48.0h， 生成 (E)-3-(4-bromostyryl)-9-methyl-9H-carbazole
  参考文献：
  名称：

  Synthesis, X-ray analysis and photophysical properties of a new N-containing pentacyclic helicene

  摘要：

  A new helically chiral pentacyclic system containing one pyrrole ring was prepared in a good yield and purity via a three-step sequence involving Heck coupling and classical oxidative photocyclization. X-ray crystal structure analysis indicated that the conformation resembled that of unsubstituted pentahelicene, the idealized symmetry of which is C-2. The optical properties of the pentacyclic helicene were investigated and show interesting behaviour. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.07.036