N-allyl-2-azetidinecarboxaldehyde | 534616-89-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环丁烷
• 英文名称: N-allyl-2-azetidinecarboxaldehyde
• 英文别名: 2-Azetidinecarboxaldehyde, 1-(2-propenyl)-；1-prop-2-enylazetidine-2-carbaldehyde
• CAS: 534616-89-2
• 化学式: C₇H₁₁NO
• 分子量: 125.17
• InChiKey: BZBZVPONRBDBLS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-allyl-2-azetidinecarboxaldehyde 在 Zn(N3)2-2 pyr 、 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 (S)-1-Allyl-2-[(S)-azido-(3-chloro-phenyl)-methyl]-azetidine
  参考文献：
  名称：

  Synthesis and structure–activity relationships of aminoalkylazetidines as ORL1 receptor ligands

  摘要：

  A series of aminoalkylazetidines has been discovered as novel ORL1 receptor ligands. Structure-activity relationships have been investigated at the azetidine N and the alkyl side chain sites. Several potent and selective analogues have been identified. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00652-2
• 作为产物：
  描述：

  1-Allyl-azetidine-2-carboxylic acid ethyl ester 在 二异丁基氢化铝 作用下， 以 乙醚 为溶剂， 生成 N-allyl-2-azetidinecarboxaldehyde
  参考文献：
  名称：

  Synthesis and structure–activity relationships of aminoalkylazetidines as ORL1 receptor ligands

  摘要：

  A series of aminoalkylazetidines has been discovered as novel ORL1 receptor ligands. Structure-activity relationships have been investigated at the azetidine N and the alkyl side chain sites. Several potent and selective analogues have been identified. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00652-2

文献信息

• Synthesis and structure–activity relationships of aminoalkylazetidines as ORL1 receptor ligands
  作者：Wen-Lian Wu、Mary Ann Caplen、Martin S. Domalski、Hongtao Zhang、Ahmad Fawzi、Duane A. Burnett

  DOI：10.1016/s0960-894x(02)00652-2

  日期：2002.11

  A series of aminoalkylazetidines has been discovered as novel ORL1 receptor ligands. Structure-activity relationships have been investigated at the azetidine N and the alkyl side chain sites. Several potent and selective analogues have been identified. (C) 2002 Elsevier Science Ltd. All rights reserved.