N-allyl-N-(4-allyl-3-(3-chlorophenyl)isoxazol-5-yl)acetamide | 1421698-63-6

• 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: N-allyl-N-(4-allyl-3-(3-chlorophenyl)isoxazol-5-yl)acetamide
• 英文别名: N-[3-(3-chlorophenyl)-4-prop-2-enyl-1,2-oxazol-5-yl]-N-prop-2-enylacetamide
• CAS: 1421698-63-6
• 化学式: C₁₇H₁₇ClN₂O₂
• 分子量: 316.787
• InChiKey: FEUBHTLSKSLBII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  46.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-allyl-N-(4-allyl-3-(3-chlorophenyl)isoxazol-5-yl)acetamide 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以93%的产率得到1-[3-(3-Chlorophenyl)-4,7-dihydro-[1,2]oxazolo[5,4-b]azepin-8-yl]ethanone
  参考文献：
  名称：

  A ring-closing metathesis approach to heterocycle-fused azepines

  摘要：

  Heterocycle-fused azepines, an important class of molecular scaffold, are readily synthesised through the ruthenium-catalysed ring-closing metathesis reaction. Although benzo-fused azepines are well documented, heterocycle-fused examples are poorly developed. Herein, a range of five- and six-membered heterocycle-fused azepines are investigated, allowing access to a series of pharmaceutically interesting products. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.12.042
• 作为产物：
  描述：

  间氯苯甲酸甲酯 在 吡啶 、 盐酸羟胺 、 sodium hexamethyldisilazane 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 4.75h， 生成 N-allyl-N-(4-allyl-3-(3-chlorophenyl)isoxazol-5-yl)acetamide
  参考文献：
  名称：

  A ring-closing metathesis approach to heterocycle-fused azepines

  摘要：

  Heterocycle-fused azepines, an important class of molecular scaffold, are readily synthesised through the ruthenium-catalysed ring-closing metathesis reaction. Although benzo-fused azepines are well documented, heterocycle-fused examples are poorly developed. Herein, a range of five- and six-membered heterocycle-fused azepines are investigated, allowing access to a series of pharmaceutically interesting products. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.12.042

文献信息

• A ring-closing metathesis approach to heterocycle-fused azepines
  作者：Thomas A. Moss

  DOI：10.1016/j.tetlet.2012.12.042

  日期：2013.2

  Heterocycle-fused azepines, an important class of molecular scaffold, are readily synthesised through the ruthenium-catalysed ring-closing metathesis reaction. Although benzo-fused azepines are well documented, heterocycle-fused examples are poorly developed. Herein, a range of five- and six-membered heterocycle-fused azepines are investigated, allowing access to a series of pharmaceutically interesting products. (C) 2012 Elsevier Ltd. All rights reserved.