1-[2-(1-Chloro-propyl)-5,5-dimethyl-3-(toluene-4-sulfonyl)-4,5-dihydro-3H-imidazol-4-yl]-ethanone

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[2-(1-Chloro-propyl)-5,5-dimethyl-3-(toluene-4-sulfonyl)-4,5-dihydro-3H-imidazol-4-yl]-ethanone
• 英文别名: 1-[2-(1-chloropropyl)-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-4-yl]ethanone
• 化学式: C₁₇H₂₃ClN₂O₃S
• 分子量: 370.9
• InChiKey: KXGLWSOHMITUQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  75.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  二氯胺T 、 丁腈 、 4-甲基-3戊烯-2-酮 在 4 A molecular sieve 作用下， 反应 8.0h， 以70%的产率得到1-[2-(1-Chloro-propyl)-5,5-dimethyl-3-(toluene-4-sulfonyl)-4,5-dihydro-3H-imidazol-4-yl]-ethanone
  参考文献：
  名称：

  Direct Electrophilic Diamination of Functionalized Alkenes without the Use of Any Metal Catalysts

  摘要：

  A new direct electrophilic diamination reaction of alpha,beta-unsaturated ketones and esters has been established without the use of any metal catalysts. Three types of nitriles (CH3CN, CH3CH2CN, and CH3CH2CH2CN) were employed as nucleophilic nitrogen sources. A new mechanism has also been proposed to explain the resulting regio- and stereoselectivity.

  DOI：

  10.1021/jo030098a

文献信息

• Direct Electrophilic Diamination of Functionalized Alkenes without the Use of Any Metal Catalysts
  作者：Dianjun Chen、Cody Timmons、Han-Xun Wei、Guigen Li

  DOI：10.1021/jo030098a

  日期：2003.7.1

  A new direct electrophilic diamination reaction of alpha,beta-unsaturated ketones and esters has been established without the use of any metal catalysts. Three types of nitriles (CH3CN, CH3CH2CN, and CH3CH2CH2CN) were employed as nucleophilic nitrogen sources. A new mechanism has also been proposed to explain the resulting regio- and stereoselectivity.