2-tert-butyl-4-[(4-methylphenyl)methyl]-6H-pyrazolo[1,5-a][1,3]benzodiazepin-5-one | 1318763-24-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-tert-butyl-4-[(4-methylphenyl)methyl]-6H-pyrazolo[1,5-a][1,3]benzodiazepin-5-one
• CAS: 1318763-24-4
• 化学式: C₂₃H₂₅N₃O
• 分子量: 359.471
• InChiKey: NRYRUXUEIUFCFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  38.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-tert-butyl-N-(4-methylbenzyl)-1-phenyl-1H-pyrazol-5-amine 在 过氧化双月桂酰 、 三乙胺 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 、 乙腈 为溶剂， 生成 2-tert-butyl-4-[(4-methylphenyl)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.