N-(3-tert-butylisoxazol-5-yl)-5-tert-butyl-3-aminoisoxazole | 136320-07-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 亚胺内酰胺
• 英文名称: N-(3-tert-butylisoxazol-5-yl)-5-tert-butyl-3-aminoisoxazole
• 英文别名: 5-tert-butyl-N-(3-tert-butyl-1,2-oxazol-5-yl)-1,2-oxazol-3-amine
• CAS: 136320-07-5
• 化学式: C₁₄H₂₁N₃O₂
• 分子量: 263.34
• InChiKey: FWOSULUSXVXQOS-UHFFFAOYSA-N

物化性质

• 沸点：
  381.3±42.0 °C(Predicted)
• 密度：
  1.093±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  64.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(3-tert-butylisoxazol-5-yl)-5-tert-butyl-3-aminoisoxazole 在 盐酸 作用下， 反应 16.0h， 以100%的产率得到3-氨基-5-叔丁基异唑
  参考文献：
  名称：

  Practical Synthesis of 3-Amino-5-tert-butylisoxazole from 4,4-Dimethyl-3-oxopentanenitrile with Hydroxylamine

  摘要：

  A good yield of 3-amino-5-tert-butylisoxazole (3) was obtained regioselectively from a reaction of 4,4-dimethyl-3-oxopentanenitrile (1) with hydroxylamine in the aqueous solution of which was adjusted to weak basic, followed by treatment of the resulting 4,4-dimethyl-3-oxopentaneamidoxime (2) with hydrochloric acid.

  DOI：

  10.3987/com-91-5712
• 作为产物：
  描述：

  新戊酰基乙腈 在 盐酸 、 sodium hydroxide 、 硫酸羟胺 作用下， 以 水 为溶剂， 生成 3-氨基-5-叔丁基异唑 、 N-(3-tert-butylisoxazol-5-yl)-5-tert-butyl-3-aminoisoxazole 、 3-(tert-butyl)isoxazol-5(4H)-one
  参考文献：
  名称：

  Practical Synthesis of 3-Amino-5-tert-butylisoxazole from 4,4-Dimethyl-3-oxopentanenitrile with Hydroxylamine

  摘要：

  A good yield of 3-amino-5-tert-butylisoxazole (3) was obtained regioselectively from a reaction of 4,4-dimethyl-3-oxopentanenitrile (1) with hydroxylamine in the aqueous solution of which was adjusted to weak basic, followed by treatment of the resulting 4,4-dimethyl-3-oxopentaneamidoxime (2) with hydrochloric acid.

  DOI：

  10.3987/com-91-5712

文献信息

• Process for preparing 3-amino-5-t-butylisoxazole
  申请人：SHIONOGI & CO., LTD.

  公开号：EP0010262A1

  公开（公告）日：1980-04-30

  The invention relates to a process for preparing 3-amino-5-t-butylisoxazole by reacting pivaloylacetonitrile whith hydroxylamine in an aqueous medium under basic conditions and treating the reaction products with an acid.

  本发明涉及一种制备 3-氨基-5-t-丁基异噁唑的工艺，其方法是在碱性条件下，在水介质中使新戊酰乙腈与羟胺反应，并用酸处理反应产物。
• US4256899A
  申请人：——

  公开号：US4256899A

  公开（公告）日：1981-03-17
• Practical Synthesis of 3-Amino-5-tert-butylisoxazole from 4,4-Dimethyl-3-oxopentanenitrile with Hydroxylamine
  作者：Akira Takase、Akira Murabayashi、Shinzaburo Sumimoto、Shiro Ueda、Yasuo Makisumi

  DOI：10.3987/com-91-5712

  日期：——

  A good yield of 3-amino-5-tert-butylisoxazole (3) was obtained regioselectively from a reaction of 4,4-dimethyl-3-oxopentanenitrile (1) with hydroxylamine in the aqueous solution of which was adjusted to weak basic, followed by treatment of the resulting 4,4-dimethyl-3-oxopentaneamidoxime (2) with hydrochloric acid.