4-benzyl-2-(2-methyl-1-p-tolylprop-1-enyl)-1-tosyl-3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-one | 1608117-72-1

• 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: 4-benzyl-2-(2-methyl-1-p-tolylprop-1-enyl)-1-tosyl-3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-one
• 英文别名: 4-Benzyl-2-[2-methyl-1-(4-methylphenyl)prop-1-enyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodiazepin-5-one；4-benzyl-2-[2-methyl-1-(4-methylphenyl)prop-1-enyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodiazepin-5-one
• CAS: 1608117-72-1
• 化学式: C₃₄H₃₄N₂O₃S
• 分子量: 550.722
• InChiKey: BFLBHKUMLAMVEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  66.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-{[(4-甲基苯基)磺酰基]氨基}苯甲酸 在 4-二甲氨基吡啶 、 sodium hydride 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 二甲基亚砜 、 mineral oil 为溶剂， 反应 2.17h， 生成 4-benzyl-2-(2-methyl-1-p-tolylprop-1-enyl)-1-tosyl-3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-one
  参考文献：
  名称：

  Synthesis of 1,4-benzodiazepinones via palladium-catalysed allene carbopalladation/amination domino sequence

  摘要：

  Vinyl-substituted 1,4-benzodiazepinones were obtained in good yields (10 examples, 61-82% yield) via the reaction between N-allenyl anthranyl amides and aryl iodides under Pd(0) catalysis. This new single cycle catalytic domino transformation involves a C-C followed by an N-C bond formation. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.11.010

文献信息

• Synthesis of 1,4-benzodiazepinones via palladium-catalysed allene carbopalladation/amination domino sequence
  作者：Micol Rigamonti、Guillaume Prestat、Gianluigi Broggini、Giovanni Poli

  DOI：10.1016/j.jorganchem.2013.11.010

  日期：2014.6

  Vinyl-substituted 1,4-benzodiazepinones were obtained in good yields (10 examples, 61-82% yield) via the reaction between N-allenyl anthranyl amides and aryl iodides under Pd(0) catalysis. This new single cycle catalytic domino transformation involves a C-C followed by an N-C bond formation. (C) 2013 Elsevier B. V. All rights reserved.