2-肼基-11H-苯并[7,8]苯并吡喃并[4,3-d][1,3]噻唑 | 901773-53-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 中文名称: 2-肼基-11H-苯并[7,8]苯并吡喃并[4,3-d][1,3]噻唑
• 英文名称: (12H-11-oxa-17-thia-15-aza-cyclopenta[a]phenanthrene-16-yl)-hydrazine
• 英文别名: (12H-11-Oxa-17-thia-15-aza-cyclopenta[a]phenanthren-16-yl)-hydrazine；17-oxa-14-thia-12-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),12-heptaen-13-ylhydrazine
• CAS: 901773-53-3
• 化学式: C₁₄H₁₁N₃OS
• 分子量: 269.327
• InChiKey: QXTATBBANTWJKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  88.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-肼基-11H-苯并[7,8]苯并吡喃并[4,3-d][1,3]噻唑 在 溶剂黄146 、 sodium nitrite 作用下， 反应 1.0h， 以89%的产率得到6H-5-oxa-7-thia-8,9,10,10a-tetraaza-pentaleno[4,5-a]phenanthrene
  参考文献：
  名称：

  Synthesis and in vitro antibacterial activity of novel heterocyclic derivatives of 18-nor-equilenin

  摘要：

  Syntheses of novel heterocyclic derivatives of 18-nor-equilenin, namely, (12H-11-oxa-17-thia-15-aza-cyclopenta[a]phenanthrene-16-yl)-hydrazine (4a/b) and its fused [1,2,4]triazolo derivatives6H-5-oxa-7-thia-8,9,10a-triaza-pentaleno[4,5-a]phenanthrene (5a/b), 10-methyl-6H-5-oxa7-thia-8,9,10a-triaza-pentaleno[4,5-a]phenanthrene (6a/b) and tetrazolo derivatives 1-substituted-6H-5-oxa-7-thia-8,9,10,10a-tetraaza-pentaleno [4,5-a]phenanthrene (7a/b) along with their antibacterial activities are reported. (c) 2006 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2006.01.018
• 作为产物：
  描述：

  benzo[h]chroman-4-one 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 1,4-二氧六环 、 四氯化碳 为溶剂， 反应 8.0h， 生成 2-肼基-11H-苯并[7,8]苯并吡喃并[4,3-d][1,3]噻唑
  参考文献：
  名称：

  Synthesis and in vitro antibacterial activity of novel heterocyclic derivatives of 18-nor-equilenin

  摘要：

  Syntheses of novel heterocyclic derivatives of 18-nor-equilenin, namely, (12H-11-oxa-17-thia-15-aza-cyclopenta[a]phenanthrene-16-yl)-hydrazine (4a/b) and its fused [1,2,4]triazolo derivatives6H-5-oxa-7-thia-8,9,10a-triaza-pentaleno[4,5-a]phenanthrene (5a/b), 10-methyl-6H-5-oxa7-thia-8,9,10a-triaza-pentaleno[4,5-a]phenanthrene (6a/b) and tetrazolo derivatives 1-substituted-6H-5-oxa-7-thia-8,9,10,10a-tetraaza-pentaleno [4,5-a]phenanthrene (7a/b) along with their antibacterial activities are reported. (c) 2006 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2006.01.018