(4-chlorophenyl)(3-phenyl-1-oxa-7-azaspiro[4.5]dec-2-en-7-yl)methanone | 1429122-63-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (4-chlorophenyl)(3-phenyl-1-oxa-7-azaspiro[4.5]dec-2-en-7-yl)methanone
• 英文别名: (4-Chlorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone；(4-chlorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone
• CAS: 1429122-63-3
• 化学式: C₂₁H₂₀ClNO₂
• 分子量: 353.848
• InChiKey: ZNSGIMOBNVUADA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-叔丁氧羰基-3-哌啶酮 在 四(三苯基膦)钯 、 正丁基锂 、 甲烷磺酸 、 3,5-二氯吡啶 N-氧化物 、 水 、 potassium carbonate 、 caesium carbonate 、 三氟乙酸 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 二氯甲烷 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 17.08h， 生成 (4-chlorophenyl)(3-phenyl-1-oxa-7-azaspiro[4.5]dec-2-en-7-yl)methanone
  参考文献：
  名称：

  Skeletal Diversification via Heteroatom Linkage Control: Preparation of Bicyclic and Spirocyclic Scaffolds from N-Substituted Homopropargyl Alcohols

  摘要：

  The discovery and application of a new branching pathway synthesis strategy that rapidly produces skeletally diverse scaffolds is described. Two different scaffold types, one a bicyclic iodo-vinylidene tertiary amine/tertiary alcohol and the other, a spirocyclic 3-furanone, are each obtained using a two-step sequence featuring a common first step. Both scaffold types lead to intermediates that can be orthogonally diversified using the same final components. One of the scaffold types was obtained in sufficiently high yield that it was immediately used to produce a 97 compound library.

  DOI：

  10.1021/jo400077m

文献信息

• Skeletal Diversification via Heteroatom Linkage Control: Preparation of Bicyclic and Spirocyclic Scaffolds from N-Substituted Homopropargyl Alcohols
  作者：Thomas O. Painter、Jonathon R. Bunn、Frank J. Schoenen、Justin T. Douglas、Victor W. Day、Conrad Santini

  DOI：10.1021/jo400077m

  日期：2013.4.19

  The discovery and application of a new branching pathway synthesis strategy that rapidly produces skeletally diverse scaffolds is described. Two different scaffold types, one a bicyclic iodo-vinylidene tertiary amine/tertiary alcohol and the other, a spirocyclic 3-furanone, are each obtained using a two-step sequence featuring a common first step. Both scaffold types lead to intermediates that can be orthogonally diversified using the same final components. One of the scaffold types was obtained in sufficiently high yield that it was immediately used to produce a 97 compound library.