N-cycloheptyl-3-methyl-4-(4-methylbenzyl)-5-oxo-7-phenyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine-3-carboxamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-cycloheptyl-3-methyl-4-(4-methylbenzyl)-5-oxo-7-phenyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine-3-carboxamide
• 英文别名: N-cycloheptyl-3-methyl-4-[(4-methylphenyl)methyl]-5-oxo-7-phenyl-2H-thieno[2,3-f][1,4]oxazepine-3-carboxamide
• 化学式: C₃₀H₃₄N₂O₃S
• 分子量: 502.678
• InChiKey: ANKFYHBOJHNFGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  86.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-Hydroxy-5-phenyl-thiophen-2-carbonsaeure-methylester 在 sodium hydroxide 、 18-冠醚-6 、 potassium carbonate 作用下， 以 甲醇 、 乙醇 、 乙腈 为溶剂， 反应 10.0h， 生成 N-cycloheptyl-3-methyl-4-(4-methylbenzyl)-5-oxo-7-phenyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine-3-carboxamide
  参考文献：
  名称：

  One-step assembly of carbamoyl substituted annulated 1,4-oxazepines

  摘要：

  We present a convenient synthesis of heterocyclic scaffolds using a novel modification of four-component Ugi condensation. Two complementary variants of this useful synthetic strategy provide an efficient one-step assembly of four novel pharmaceutically relevant (hetero) aryl-fused 1,4-oxazepines with different substituents' profile. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.01.158

文献信息

• One-step assembly of carbamoyl substituted annulated 1,4-oxazepines
  作者：Alexey P. Ilyin、Vladislav Z. Parchinski、Julia N. Peregudova、Andrey S. Trifilenkov、Elena B. Poutsykina、Sergey E. Tkachenko、Dmitri V. Kravchenko、Alexandre V. Ivachtchenko

  DOI：10.1016/j.tetlet.2006.01.158

  日期：2006.4

  We present a convenient synthesis of heterocyclic scaffolds using a novel modification of four-component Ugi condensation. Two complementary variants of this useful synthetic strategy provide an efficient one-step assembly of four novel pharmaceutically relevant (hetero) aryl-fused 1,4-oxazepines with different substituents' profile. (c) 2006 Elsevier Ltd. All rights reserved.