7-bromo-4,11-dihydro-4,11-ethanoanthra[2,3-c]pyrrole | 1224276-86-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 7-bromo-4,11-dihydro-4,11-ethanoanthra[2,3-c]pyrrole
• 英文别名: 6-Bromo-15-azapentacyclo[10.5.2.02,11.04,9.013,17]nonadeca-2(11),3,5,7,9,13,16-heptaene；6-bromo-15-azapentacyclo[10.5.2.02,11.04,9.013,17]nonadeca-2(11),3,5,7,9,13,16-heptaene
• CAS: 1224276-86-1
• 化学式: C₁₈H₁₄BrN
• 分子量: 324.22
• InChiKey: YCBWOXJTJDJAPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  15.8
• 氢给体数：
  1
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  4-溴-1,2-双二溴甲基苯 、 ethyl 4,7-dihydro-4,7-ethano-2H-isoindole-1-carboxylate 在 sodium iodide 、 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 、 乙二醇 为溶剂， 反应 10.0h， 生成 7-bromo-4,11-dihydro-4,11-ethanoanthra[2,3-c]pyrrole
  参考文献：
  名称：

  Thermal Behavior of Bicyclo[2.2.2]octadiene-Installed Precursors for 2H-Anthra[2,3-c]pyrroles and Anthra[2,3-c]thiophene

  摘要：

  4,11-Ethano-4,11-dihydro-2H-anthra[2,3-c]pyrrole and 4,11-ethano-4,11-dihydroanthra[2,3-c]thiophene derivatives were prepared from the corresponding bicyclo[2.2.2]octadiene-fused five-membered heterocycles by the Diels-Alder reaction with in situ generated alpha, alpha'-dibromo-o-xylylene derivatives. Their thermogravimetric analyses showed evapolation without formation of 2H-anthra[2,3-c]pyrrole and anthra[2,3-c]thiophene derivatives under the atmospheric pressure.

  DOI：

  10.3987/com-09-s(s)102

文献信息

• Thermal Behavior of Bicyclo[2.2.2]octadiene-Installed Precursors for 2H-Anthra[2,3-c]pyrroles and Anthra[2,3-c]thiophene
  作者：Hidemitsu Uno、Hiroki Uoyama、Cai Chenxin、Hiroyuki Tahara、Yusuke Shimizu、Hideki Hagiwara、Yasuaki Hanasaki、Hiroko Yamada、Tetsuo Okujima

  DOI：10.3987/com-09-s(s)102

  日期：——

  4,11-Ethano-4,11-dihydro-2H-anthra[2,3-c]pyrrole and 4,11-ethano-4,11-dihydroanthra[2,3-c]thiophene derivatives were prepared from the corresponding bicyclo[2.2.2]octadiene-fused five-membered heterocycles by the Diels-Alder reaction with in situ generated alpha, alpha'-dibromo-o-xylylene derivatives. Their thermogravimetric analyses showed evapolation without formation of 2H-anthra[2,3-c]pyrrole and anthra[2,3-c]thiophene derivatives under the atmospheric pressure.