2,3-二溴-2-甲基丁腈 | 85554-83-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2,3-二溴-2-甲基丁腈
• 英文名称: 2,3-dibromo-2-methylbutanenitrile
• 英文别名: 2,3-dibromo-2-methylbutyronitrile；2,3-Dibrom-2-methyl-butylnitril
• CAS: 85554-83-2
• 化学式: C₅H₇Br₂N
• 分子量: 240.925
• InChiKey: SBFUFGSTQOIQIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  2,3-二溴-2-甲基丁腈 在 乙酰氧肟酸 、 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 18.0h， 以62%的产率得到3-氨基-4,5-二甲基异噁唑
  参考文献：
  名称：

  Practical Synthesis of 3-Amino-4,5-dimethylisoxazole from 2-Methyl-2-butenenitrile and Acetohydroxamic Acid

  摘要：

  3-Amino-4,5-dimethylisoxazole was prepared from technical-grade 2-methyl-2-butenenitrile and acetohydroxamic acid in a 62% overall yield on a multimole scale. The key features of this synthesis are (1) DBU treatment of the technical-grade nitrile mixture to provide a starting material of acceptable purity and (2) use of acetohydroxamic acid as an N-protected hydroxylamine equivalent. This operationally simple method provides the title compound in reasonable overall yield and free of contamination from the isomeric 5-amino-3,4-dimethylisoxazole.

  DOI：

  10.1021/op060239l
• 作为产物：
  描述：

  2-甲基-2-丁烯腈 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 溴 作用下， 以 二氯甲烷 为溶剂， 反应 33.5h， 生成 2,3-二溴-2-甲基丁腈
  参考文献：
  名称：

  Practical Synthesis of 3-Amino-4,5-dimethylisoxazole from 2-Methyl-2-butenenitrile and Acetohydroxamic Acid

  摘要：

  3-Amino-4,5-dimethylisoxazole was prepared from technical-grade 2-methyl-2-butenenitrile and acetohydroxamic acid in a 62% overall yield on a multimole scale. The key features of this synthesis are (1) DBU treatment of the technical-grade nitrile mixture to provide a starting material of acceptable purity and (2) use of acetohydroxamic acid as an N-protected hydroxylamine equivalent. This operationally simple method provides the title compound in reasonable overall yield and free of contamination from the isomeric 5-amino-3,4-dimethylisoxazole.

  DOI：

  10.1021/op060239l

文献信息

• Chalchat,J.C.; Theron,F., Bulletin de la Societe Chimique de France, 1974, p. 953 - 957
  作者：Chalchat,J.C.、Theron,F.

  DOI：——

  日期：——
• CN115010676
  申请人：——

  公开号：——

  公开（公告）日：——
• Practical Synthesis of 3-Amino-4,5-dimethylisoxazole from 2-Methyl-2-butenenitrile and Acetohydroxamic Acid
  作者：John E. Tellew、Leslie Leith、Arvind Mathur

  DOI：10.1021/op060239l

  日期：2007.3.1

  3-Amino-4,5-dimethylisoxazole was prepared from technical-grade 2-methyl-2-butenenitrile and acetohydroxamic acid in a 62% overall yield on a multimole scale. The key features of this synthesis are (1) DBU treatment of the technical-grade nitrile mixture to provide a starting material of acceptable purity and (2) use of acetohydroxamic acid as an N-protected hydroxylamine equivalent. This operationally simple method provides the title compound in reasonable overall yield and free of contamination from the isomeric 5-amino-3,4-dimethylisoxazole.