5-(2-oxo-2-phenylethyl)-1-phenyl-1H-pyrazolo-[3,4-d]pyrimidin-4(5H)-one | 841211-59-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-(2-oxo-2-phenylethyl)-1-phenyl-1H-pyrazolo-[3,4-d]pyrimidin-4(5H)-one
• 英文别名: 5-phenacyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
• CAS: 841211-59-4
• 化学式: C₁₉H₁₄N₄O₂
• mdl: MFCD05247893
• 分子量: 330.346
• InChiKey: PXBBYHAEPVFBIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  67.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  4-羟基-1-苯基吡唑并[3,4-D]嘧啶 、 alpha-氯乙酰苯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 7.0h， 以95%的产率得到5-(2-oxo-2-phenylethyl)-1-phenyl-1H-pyrazolo-[3,4-d]pyrimidin-4(5H)-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 new Di-, Tetra-, and hexahydropyrazolo[3,4-e][1,4]diazepine derivatives
  作者：A. V. Bol’but、S. V. Kemskii、M. V. Vovk

  DOI：10.1134/s1070428012070172

  日期：2012.7

  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.