4-Acetylamino-5-chloro-2-methoxy-N-(4-oxa-1-aza-bicyclo[3.3.1]non-6-yl)-benzamide | 107904-13-2

• 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: 4-Acetylamino-5-chloro-2-methoxy-N-(4-oxa-1-aza-bicyclo[3.3.1]non-6-yl)-benzamide
• CAS: 107904-13-2
• 化学式: C₁₇H₂₂ClN₃O₄
• 分子量: 367.832
• InChiKey: ZQSCVVIFTHUFFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.51
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  79.9
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-Acetylamino-5-chloro-2-methoxy-N-(4-oxa-1-aza-bicyclo[3.3.1]non-6-yl)-benzamide 在 sodium hydroxide 作用下， 生成 4-Amino-5-chloro-2-methoxy-N-(4-oxa-1-aza-bicyclo[3.3.1]non-6-yl)-benzamide
  参考文献：
  名称：

  The synthesis of 2-morpholine carboxylic acid derivatives and their elaboration to 1-aza-4-oxabicyclo[3.3.1]nonan-6-one.

  摘要：

  Two syntheses of novel 2-morpholine carboxylic acid derivatives are described. The esters were converted into 1-aza-4-oxabicyclo[3.3.1]nonan-6-one, the first example of this ring system, which was further elaborated to the ortho-methoxy benzamide derivative (2).

  DOI：

  10.1016/s0040-4039(00)79702-4
• 作为产物：
  描述：

  1-aza-4-oxabicyclo<3.3.1>nonan-6-one 在 lithium aluminium tetrahydride 、 盐酸羟胺 作用下， 生成 4-Acetylamino-5-chloro-2-methoxy-N-(4-oxa-1-aza-bicyclo[3.3.1]non-6-yl)-benzamide
  参考文献：
  名称：

  The synthesis of 2-morpholine carboxylic acid derivatives and their elaboration to 1-aza-4-oxabicyclo[3.3.1]nonan-6-one.

  摘要：

  Two syntheses of novel 2-morpholine carboxylic acid derivatives are described. The esters were converted into 1-aza-4-oxabicyclo[3.3.1]nonan-6-one, the first example of this ring system, which was further elaborated to the ortho-methoxy benzamide derivative (2).

  DOI：

  10.1016/s0040-4039(00)79702-4