2-[1-(4-Benzyloxy-benzo[1,3]dioxol-5-yl)-meth-(E)-ylidene]-piperidine-1-carboxylic acid tert-butyl ester | 302969-11-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 2-[1-(4-Benzyloxy-benzo[1,3]dioxol-5-yl)-meth-(E)-ylidene]-piperidine-1-carboxylic acid tert-butyl ester
• CAS: 302969-11-5
• 化学式: C₂₅H₂₉NO₅
• 分子量: 423.509
• InChiKey: BJFLFXCZSBIDPO-HMMYKYKNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.76
• 重原子数：
  31.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  57.23
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-[1-(4-Benzyloxy-benzo[1,3]dioxol-5-yl)-meth-(E)-ylidene]-piperidine-1-carboxylic acid tert-butyl ester 在 sodium tetrahydroborate 、 三乙胺 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 [2-(4-Benzyloxy-benzo[1,3]dioxol-5-ylmethyl)-piperidin-1-yl]-(4-benzyloxy-3,5-dimethoxy-phenyl)-methanone
  参考文献：
  名称：

  First synthesis and pharmacological evaluation of benzoindolizidine and benzoquinolizidine analogues of α- and β-peltatin

  摘要：

  The benzoindolizidine and-quinolizidine analogues of alpha- and beta-peltatin were designed and synthesized by two different synthetic routes involving as the key step the Bischler-Napieralski cyclization of suitably substituted N-acyl-2-arylmethylpyrrolidine and -piperidine derivatives. The in vitro biological activity of these analogues as well as some of their derivatives was subsequently evaluated. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00130-9
• 作为产物：
  描述：

  4-hydroxybenzo[d][1,3]dioxole-5-carbaldehyde 在 氢氧化钾 、 正丁基锂 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 为溶剂， 生成 2-[1-(4-Benzyloxy-benzo[1,3]dioxol-5-yl)-meth-(E)-ylidene]-piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  First synthesis and pharmacological evaluation of benzoindolizidine and benzoquinolizidine analogues of α- and β-peltatin

  摘要：

  The benzoindolizidine and-quinolizidine analogues of alpha- and beta-peltatin were designed and synthesized by two different synthetic routes involving as the key step the Bischler-Napieralski cyclization of suitably substituted N-acyl-2-arylmethylpyrrolidine and -piperidine derivatives. The in vitro biological activity of these analogues as well as some of their derivatives was subsequently evaluated. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00130-9