7,9-Dimethyl-4-methylsulfanyl-2-oxo-5,6-dihydrobenzo[h]chromene-3-carbonitrile | 1000683-88-4

• 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: 7,9-Dimethyl-4-methylsulfanyl-2-oxo-5,6-dihydrobenzo[h]chromene-3-carbonitrile
• 英文别名: 7,9-dimethyl-4-methylsulfanyl-2-oxo-5,6-dihydrobenzo[h]chromene-3-carbonitrile
• CAS: 1000683-88-4
• 化学式: C₁₇H₁₅NO₂S
• 分子量: 297.378
• InChiKey: ZMKBGBXLTJIHPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  75.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7,9-Dimethyl-4-methylsulfanyl-2-oxo-5,6-dihydrobenzo[h]chromene-3-carbonitrile 在 一水合肼 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 以85%的产率得到
  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
• 作为产物：
  描述：

  5,7-二甲基-1-萘满酮 、 2-氰-3,3-二(甲硫基)丙烯酸甲酯 在 氢氧化钾 作用下， 以 二甲基亚砜 为溶剂， 以75%的产率得到7,9-Dimethyl-4-methylsulfanyl-2-oxo-5,6-dihydrobenzo[h]chromene-3-carbonitrile
  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