17-amino-6,7-dihydro-15-methyl-11-oxa-15,16-diazacyclopenta[a]phenanthren-12-one | 1000683-92-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 17-amino-6,7-dihydro-15-methyl-11-oxa-15,16-diazacyclopenta[a]phenanthren-12-one
• 英文别名: 14-Amino-12-methyl-17-oxa-12,13-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,11(15),13-hexaen-16-one；14-amino-12-methyl-17-oxa-12,13-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,11(15),13-hexaen-16-one
• CAS: 1000683-92-0
• 化学式: C₁₅H₁₃N₃O₂
• 分子量: 267.287
• InChiKey: SOPFNECUQOQKDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  70.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-oxo-4-methylsulfanyl-5,6-dihydro-2H-benzo[h]chromene-3-carbonitrile 、 甲基肼 以87%的产率得到17-amino-6,7-dihydro-15-methyl-11-oxa-15,16-diazacyclopenta[a]phenanthren-12-one
  参考文献：
  名称：

  Synthetic potential of 2-oxobenzo[h]chromene for the construction of polycyclic azaheteroaromatics with a steroid-like skeleton

  摘要：

  An efficient and concise synthesis of 17-amino-6,15-dihydro-7H-11-oxa-15,16-diazacyclopenta[a]phenanthren-12-ones has been delineated from the reaction of 4-methylsulfanyl/sec-amino-2-oxo-5,6-dihydro-2H-benzo[h]chromene-3-carbonitriles and hydrazine hydrate (98%) at room temperature. Reaction at reflux produced different products, characterized as 1-amino-3b,4,5,11-tetrahydro-3H-2,3,10,11-tetraazanaphtho[2,1-e]azulen-12-ones in moderate yields. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.09.132

文献信息

• Synthetic potential of 2-oxobenzo[h]chromene for the construction of polycyclic azaheteroaromatics with a steroid-like skeleton
  作者：Ramendra Pratap、Vishnu Ji Ram

  DOI：10.1016/j.tetlet.2007.09.132

  日期：2007.11

  An efficient and concise synthesis of 17-amino-6,15-dihydro-7H-11-oxa-15,16-diazacyclopenta[a]phenanthren-12-ones has been delineated from the reaction of 4-methylsulfanyl/sec-amino-2-oxo-5,6-dihydro-2H-benzo[h]chromene-3-carbonitriles and hydrazine hydrate (98%) at room temperature. Reaction at reflux produced different products, characterized as 1-amino-3b,4,5,11-tetrahydro-3H-2,3,10,11-tetraazanaphtho[2,1-e]azulen-12-ones in moderate yields. (C) 2007 Elsevier Ltd. All rights reserved.