3-(2,2-diethoxycarbonyl-1-phenylethyl)-5-phenylisoxazole

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-(2,2-diethoxycarbonyl-1-phenylethyl)-5-phenylisoxazole
• 英文别名: diethyl 2-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methyl]propanedioate
• 化学式: C₂₃H₂₃NO₅
• 分子量: 393.439
• InChiKey: BPMZFMYBSYXWNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.22
• 重原子数：
  29.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  78.63
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  反式硝基苯乙烯 在 sodium hydride 、 异氰酸苯酯 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 3.5h， 生成 3-(2,2-diethoxycarbonyl-1-phenylethyl)-5-phenylisoxazole
  参考文献：
  名称：

  One-pot synthesis of the hydroximoyl chlorides and [3.3.0] bicyclic compounds from the reactions of β-nitrostyrenes with stabilized nucleophiles

  摘要：

  beta-Nitrostyrenes 1 react with various stabilized nucleophiles to generate hydroximoyl chlorides and nitroalkanes after workup with ice cold concentrated hydrochloric acid One-pot synthesis of bicyclic products from the Michael addition of different nucleophiles with beta-nitrostyrenes 1 is reported (C) 1998 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0040-4020(98)00883-7

文献信息

• One-pot synthesis of the hydroximoyl chlorides and [3.3.0] bicyclic compounds from the reactions of β-nitrostyrenes with stabilized nucleophiles
  作者：Kuo-Hsi Kao、Cherng-Shi Yang、Ju-Tsung Liu、Wen-Wei Lin、Hui-Yu Fang、Ching-Fa Yao、Kwunmin Chen

  DOI：10.1016/s0040-4020(98)00883-7

  日期：1998.11

  beta-Nitrostyrenes 1 react with various stabilized nucleophiles to generate hydroximoyl chlorides and nitroalkanes after workup with ice cold concentrated hydrochloric acid One-pot synthesis of bicyclic products from the Michael addition of different nucleophiles with beta-nitrostyrenes 1 is reported (C) 1998 Elsevier Science Ltd. Ail rights reserved.