2-tert-butyl-4-[(4-hydroxy-3-methoxyphenyl)methyl]-6H-pyrazolo[1,5-a][1,3]benzodiazepin-5-one | 1318763-29-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-tert-butyl-4-[(4-hydroxy-3-methoxyphenyl)methyl]-6H-pyrazolo[1,5-a][1,3]benzodiazepin-5-one
• CAS: 1318763-29-9
• 化学式: C₂₃H₂₅N₃O₃
• 分子量: 391.47
• InChiKey: JGSXJXLIJHDMTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  67.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  在 过氧化双月桂酰 作用下， 以 1,2-二氯乙烷 为溶剂， 以48%的产率得到2-tert-butyl-4-[(4-hydroxy-3-methoxyphenyl)methyl]-6H-pyrazolo[1,5-a][1,3]benzodiazepin-5-one
  参考文献：
  名称：

  Design and synthesis of novel benzopyrazolodiazepinones via intra-molecular alkylation of α-alkylcarbonyl radicals mediated by dilauroylperoxide

  摘要：

  Using a tin-free strategy, novel 4H-benzo[f]pyrazolo[1,5-a][1,3]diazepin-5(6H)-ones were synthesized in acceptable yields via intra-molecular alkylation over a benzene ring, of alpha-alkylcarbonyl radicals generated from ethyl pyrazolylbenzylaminoxanthates, using dilauroyl peroxide (DLP) as the radical initiator. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.05.105

文献信息

• Design and synthesis of novel benzopyrazolodiazepinones via intra-molecular alkylation of α-alkylcarbonyl radicals mediated by dilauroylperoxide
  作者：Luz M. Jaramillo-Gómez、Gerson López、Braulio Insuasty、Jairo Quiroga、Rodrigo Abonia

  DOI：10.1016/j.tetlet.2011.05.105

  日期：2011.8

  Using a tin-free strategy, novel 4H-benzo[f]pyrazolo[1,5-a][1,3]diazepin-5(6H)-ones were synthesized in acceptable yields via intra-molecular alkylation over a benzene ring, of alpha-alkylcarbonyl radicals generated from ethyl pyrazolylbenzylaminoxanthates, using dilauroyl peroxide (DLP) as the radical initiator. (C) 2011 Elsevier Ltd. All rights reserved.