2-乙烯基-5,7-二氮杂螺[3.4]辛烷-6,8-二酮 | 906456-02-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 中文名称: 2-乙烯基-5,7-二氮杂螺[3.4]辛烷-6,8-二酮
• 英文名称: 2-Vinyl-5,7-diaza-spiro[3.4]octane-6,8-dione
• 英文别名: 2-Ethenyl-5,7-diazaspiro[3.4]octane-6,8-dione
• CAS: 906456-02-8
• 化学式: C₈H₁₀N₂O₂
• 分子量: 166.18
• InChiKey: XQSYZOQXIBUFKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-乙烯基-5,7-二氮杂螺[3.4]辛烷-6,8-二酮 在 盐酸 、 diisopinocamphenylboron chloride 作用下， 以 四氢呋喃 为溶剂， 生成 1-aminocyclobutanecarboxylic acid
  参考文献：
  名称：

  Synthesis of a boronated amino acid as a potential neutron therapy agent: 1-amino-3-[(dihydroxyboryl)ethyl]cyclobutanecarboxylic acid

  摘要：

  A novel boronated aminocyclobutanecarboxylic acid was synthesized in 10 steps for potential use in neutron capture therapy. The molecule was modeled after the unnatural amino acid 1-aminocyclobutanecarboxylic acid, which has shown high uptake in brain tumors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.04.130
• 作为产物：
  描述：

  2-(6-Butyl-5,8-dioxa-spiro[3.4]oct-2-yl)-ethanol 在 盐酸 、 potassium cyanide 、 sodium hydroxide 、 四溴化碳 、 三苯基膦 、 PEG-600 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 9.0h， 生成 2-乙烯基-5,7-二氮杂螺[3.4]辛烷-6,8-二酮
  参考文献：
  名称：

  Synthesis of a boronated amino acid as a potential neutron therapy agent: 1-amino-3-[(dihydroxyboryl)ethyl]cyclobutanecarboxylic acid

  摘要：

  A novel boronated aminocyclobutanecarboxylic acid was synthesized in 10 steps for potential use in neutron capture therapy. The molecule was modeled after the unnatural amino acid 1-aminocyclobutanecarboxylic acid, which has shown high uptake in brain tumors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.04.130

文献信息

• Synthesis of a boronated amino acid as a potential neutron therapy agent: 1-amino-3-[(dihydroxyboryl)ethyl]cyclobutanecarboxylic acid
  作者：George W. Kabalka、Min-Liang Yao、Abhijit Navarane

  DOI：10.1016/j.tetlet.2005.04.130

  日期：2005.7

  A novel boronated aminocyclobutanecarboxylic acid was synthesized in 10 steps for potential use in neutron capture therapy. The molecule was modeled after the unnatural amino acid 1-aminocyclobutanecarboxylic acid, which has shown high uptake in brain tumors. (c) 2005 Elsevier Ltd. All rights reserved.
• Hydroboration of Alkene-Containing Hydantoins
  作者：George W. Kabalka、Min-Liang Yao、Zhongzhi Wu

  DOI：10.1021/op060052u

  日期：2006.9.1

  A direct hydroboration of alkene-containing hydantoins using diisopinocampheylborane has been developed that can be used to prepare boronated amino acids. The method is successful because boronic acids are stable to the conditions employed for hydrolyzing hydantoins.