4-isopropyl-N-phenethylbenzamide | 15088-93-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 4-isopropyl-N-phenethylbenzamide
• 英文别名: N-Phenaethyl-4-isopropyl-benzamid；N-Phenethyl-4-isopropylbenzamide；N-(2-phenylethyl)-4-propan-2-ylbenzamide
• CAS: 15088-93-4
• 化学式: C₁₈H₂₁NO
• mdl: MFCD03363252
• 分子量: 267.371
• InChiKey: FXUNMVQFUCSVFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-苯乙胺 、 4-异丙基苯甲醛 在 叔丁基过氧化氢 、 zinc dibromide 作用下， 以 水 为溶剂， 反应 16.0h， 以62%的产率得到4-isopropyl-N-phenethylbenzamide
  参考文献：
  名称：

  Zinc(II)-catalyzed oxidative amidation of arylaldehydes with alkylamines under solvent-free conditions

  摘要：

  The first zinc-catalyzed oxidative amidation of arylaldehydes has been developed. Various amides were prepared in good yields under solvent-free and mild reaction conditions. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.12.010

文献信息

• FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION
  申请人：Kusakabe Ken-ichi

  公开号：US20120059162A1

  公开（公告）日：2012-03-08

  Provided are a compound represented by general formula (1) and having a TTK inhibitory action and a medicine containing the compound. In formula (1), (X, Y, V, W) is (—N═, ═CR 1 —, ═N—, —CR 7 ═), (—CR 2 ═, ═N—, ═N—, —CR 7 ═), etc.; A is an (un)substituted aromatic hydrocarbon ring, etc.; L is a single bond, —C(═O)—NR A —, etc.; Z is a group represented by the formula —NR 3 R 4 or a group represented by the formula —OR 5 ; R 1 to R 3 , R 6 , and R 7 each is a hydrogen atom, etc.; R 4 and R 5 each is an (un)substituted alkyl, etc.; and R 8 is an (un)substituted cycloalkyl, etc.

  提供了一个由一般式（1）表示的化合物，具有TTK抑制作用，以及含有该化合物的药物。在式（1）中，（X，Y，V，W）为（—N═，═CR1—，═N—，—CR7═），（—CR2═，═N—，═N—，—CR7═），等等；A为（非）取代芳香烃环等；L为一个单键，—C(═O)—NRA—等；Z为由式—NR3R4或式—OR5表示的基团；R1至R3，R6和R7分别是氢原子等；R4和R5分别是（非）取代烷基等；R8是（非）取代环烷基等。
• Zinc(II)-catalyzed oxidative amidation of arylaldehydes with alkylamines under solvent-free conditions
  作者：Min Zhang、Xiao-Feng Wu

  DOI：10.1016/j.tetlet.2012.12.010

  日期：2013.2

  The first zinc-catalyzed oxidative amidation of arylaldehydes has been developed. Various amides were prepared in good yields under solvent-free and mild reaction conditions. (C) 2012 Elsevier Ltd. All rights reserved.