1,4-Dioxa-9-aza-spiro<4.7>dodecan | 16803-13-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 1,4-Dioxa-9-aza-spiro<4.7>dodecan
• 英文别名: 1,4-dioxa-9-aza-spiro[4.7]dodecane；1,4-Dioxa-9-azaspiro[4.7]dodecane
• CAS: 16803-13-7
• 化学式: C₉H₁₇NO₂
• 分子量: 171.239
• InChiKey: RBMFTMHXXCKEGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,4-Dioxa-9-aza-spiro<4.7>dodecan 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 反应 10.0h， 生成
  参考文献：
  名称：

  A synthetic approach to the actinophyllic acid molecular architecture

  摘要：

  Compounds 3a and 3b with the 1-azabicyclo[4.2.1]nonane ring system present in actinophyllic acid, have been synthesized. The method involves the intramolecular acid induced cyclization of the azafulvene 7 (formed between indole-3-carbaldehyde 5 and the azocan-5-one ethyleneketal 4b) into 3b in 48-60% yield as the key reaction. X-ray analyses of 3a and 3b showed they have the 'wrong' stereochemistry (indole-anti to the 7-member ring) for its use as a potential intermediate in an eventual synthesis of actinophyllic acid 1. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.02.050
• 作为产物：
  描述：

  2,2-bis-(3-chloro-propyl)-[1,3]dioxolane 在 四丁基氢氧化铵 、 四丁基碘化铵 、 sodium carbonate 、 苯硫酚 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙腈 为溶剂， 生成 1,4-Dioxa-9-aza-spiro<4.7>dodecan
  参考文献：
  名称：

  A synthetic approach to the actinophyllic acid molecular architecture

  摘要：

  Compounds 3a and 3b with the 1-azabicyclo[4.2.1]nonane ring system present in actinophyllic acid, have been synthesized. The method involves the intramolecular acid induced cyclization of the azafulvene 7 (formed between indole-3-carbaldehyde 5 and the azocan-5-one ethyleneketal 4b) into 3b in 48-60% yield as the key reaction. X-ray analyses of 3a and 3b showed they have the 'wrong' stereochemistry (indole-anti to the 7-member ring) for its use as a potential intermediate in an eventual synthesis of actinophyllic acid 1. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.02.050

文献信息

• Microbiological oxygenation of azacycloalkanes. Structural determinations and some chemical modifications leading to transannular reactions
  作者：Roy A. Johnson、Milton E. Herr、Herbert C. Murray、Gunther S. Fonken

  DOI：10.1021/jo01272a035

  日期：1968.8
• Transannular reactions of heptamethyleneimine derivatives
  作者：Roy A. Johnson

  DOI：10.1021/jo00967a028

  日期：1972.1
• C5A RECEPTOR MODULATORS
  申请人：IDORSIA PHARMACEUTICALS LTD.

  公开号：US20210122736A1

  公开（公告）日：2021-04-29

  The present invention relates to derivatives of formula (I) wherein Ring A, W, X, Y, Z, R 1 , R 2 , R 3 and R 4 are as described in the description, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of formula (I), and especially to their use as C5a receptor modulators.
• A synthetic approach to the actinophyllic acid molecular architecture
  作者：Ivann Zaragoza Galicia、Luis A. Maldonado

  DOI：10.1016/j.tetlet.2013.02.050

  日期：2013.4

  Compounds 3a and 3b with the 1-azabicyclo[4.2.1]nonane ring system present in actinophyllic acid, have been synthesized. The method involves the intramolecular acid induced cyclization of the azafulvene 7 (formed between indole-3-carbaldehyde 5 and the azocan-5-one ethyleneketal 4b) into 3b in 48-60% yield as the key reaction. X-ray analyses of 3a and 3b showed they have the 'wrong' stereochemistry (indole-anti to the 7-member ring) for its use as a potential intermediate in an eventual synthesis of actinophyllic acid 1. (C) 2013 Elsevier Ltd. All rights reserved.