1,7-diphenyl-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4(1H)-one | 1234320-87-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,7-diphenyl-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4(1H)-one
• 英文别名: 1,7-Diphenyl-5,6-dihydropyrazolo[3,4-e][1,4]di-azepin-4(1h)-one；1,7-diphenyl-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4-one
• CAS: 1234320-87-6
• 化学式: C₁₈H₁₄N₄O
• 分子量: 302.335
• InChiKey: SLJQYSQKJSKLLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  59.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,7-diphenyl-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4(1H)-one 在 sodium tetrahydroborate 作用下， 以 异丙醇 为溶剂， 反应 24.0h， 以51%的产率得到1,7-diphenyl-5,6,7,8-tetrahydropyrazolo[3,4-e]-[1,4]diazepin-4(1H)-one
  参考文献：
  名称：

  Synthesis of new Di-, Tetra-, and hexahydropyrazolo[3,4-e][1,4]diazepine derivatives

  摘要：

  Alkaline hydrolysis of 5-(2,2-diethoxyethyl-, aroylmethyl-, or ethoxycarbonylmethyl)-1H-pyrazolo-[3,4-e]pyrimidin-4(5H)-ones gave 5-amino-N-(2,2-diethoxyethyl-, aroylmethyl-, or carboxymethyl)-1H-pyrazole-4-carboxamides which underwent cyclization to the corresponding 7-hydroxy-5,6,7,8-tetrahydropyrazolo-[3,4-e][1,4]diazepin-4(1H)-ones, 5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4(1H)-ones, and 1,5,6,8-tetrahydropyrazolo[3,4-e][1,4]diazepine-4,7-diones. Reduction of the cyclization products with NaBH4 and LiAlH4 afforded 5,6,7,8-tetrahydropyrazolo[3,4-e][1,4]diazepin-4(1H)-ones and 1,4,5,6,7,8-hexahydropyrazolo[3,4-e]-[1,4]diazepines.

  DOI：

  10.1134/s1070428012070172
• 作为产物：
  描述：

  5-(2-oxo-2-phenylethyl)-1-phenyl-1H-pyrazolo-[3,4-d]pyrimidin-4(5H)-one 在 水 、 sodium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 5.0h， 以74%的产率得到1,7-diphenyl-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4(1H)-one
  参考文献：
  名称：

  Synthesis of new Di-, Tetra-, and hexahydropyrazolo[3,4-e][1,4]diazepine derivatives

  摘要：

  Alkaline hydrolysis of 5-(2,2-diethoxyethyl-, aroylmethyl-, or ethoxycarbonylmethyl)-1H-pyrazolo-[3,4-e]pyrimidin-4(5H)-ones gave 5-amino-N-(2,2-diethoxyethyl-, aroylmethyl-, or carboxymethyl)-1H-pyrazole-4-carboxamides which underwent cyclization to the corresponding 7-hydroxy-5,6,7,8-tetrahydropyrazolo-[3,4-e][1,4]diazepin-4(1H)-ones, 5,6-dihydropyrazolo[3,4-e][1,4]diazepin-4(1H)-ones, and 1,5,6,8-tetrahydropyrazolo[3,4-e][1,4]diazepine-4,7-diones. Reduction of the cyclization products with NaBH4 and LiAlH4 afforded 5,6,7,8-tetrahydropyrazolo[3,4-e][1,4]diazepin-4(1H)-ones and 1,4,5,6,7,8-hexahydropyrazolo[3,4-e]-[1,4]diazepines.

  DOI：

  10.1134/s1070428012070172

文献信息

• Synthesis of 4-hydrazinyl-1,6-dihydropyrazolo[3,4-e][1,4]diazepines and their hydrolytic recyclization to 5-amino-4-(1,2,4-triazin-3-yl)-1H-pyrazoles
  作者：S. V. Kemskii、A. V. Bol’but、M. V. Vovk

  DOI：10.1134/s107042801510022x

  日期：2015.10

  4-Hydrazinyl-1,6-dihydropyrazolo[3,4-e][1,4]diazepines were synthesized by reaction of 4-methylsulfanyl- or 4-chloro-5,6-dihydropyrazolo[3,4-e][1,4]diazepines with hydrazine hydrate. Their hydrolytic recyclization afforded 5-amino-4-(1,2,4-triazin-3-yl)-1H-pyrazoles.