3-ethyl-3-methyl-1-p-toluenesulfonyltetrahydropyrrole | 1412894-84-8

• 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: 3-ethyl-3-methyl-1-p-toluenesulfonyltetrahydropyrrole
• 英文别名: 3-ethyl-3-methyl-1-tosylpyrrolidine；3-Ethyl-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
• CAS: 1412894-84-8
• 化学式: C₁₄H₂₁NO₂S
• 分子量: 267.392
• InChiKey: VJSDLRYUODOYCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 二氯二茂钛 、 锰 、 水 、 nickel dichloride 、 三环己基膦 作用下， 以 四氢呋喃 为溶剂， 以68%的产率得到3-ethyl-3-methyl-1-p-toluenesulfonyltetrahydropyrrole
  参考文献：
  名称：

  Water Control over the Chemoselectivity of a Ti/Ni Multimetallic System: Heck- or Reductive-Type Cyclization Reactions of Alkyl Iodides

  摘要：

  A versatile Ti/Ni multimetallic protocol is described for the efficient catalysis of two different reactions, namely a Heck- and reductive-type cyclization of alkyl iodides, in the absence or presence of water, respectively. Noteworthy, the versatility of Ti(III) chemistry allows an oxidative ending step under reductive conditions to give Heck-type products, and the good H-atom transfer capabilities of Ti(III)-aqua complexes ensure reductive-type cyclizations.

  DOI：

  10.1021/ol3028913

文献信息

• Palladium-catalyzed intramolecular reductive olefin hydrocarbonation: benzylic hydrogen serving as a new hydrogen donor
  作者：Xu Dong、Jie Cui、Jian Song、Ying Han、Qing Liu、Yunhui Dong、Hui Liu

  DOI：10.1039/c7cc01423f

  日期：——

  A palladium-catalyzed intramolecular hydrocarbonation of unactivated alkenes was achieved, in which toluene is used as a hydrogen donor for the first time. The radical transfer hydrogenation is designed and realized based on the Bond Dissociation Energy (BDE) value. A toluene derivative, which is cheap, readily available and easy to handle, serves as a new hydrogen donor in radical involved reactions

  实现了钯催化的未活化烯烃的分子内烃化反应，其中首次将甲苯用作氢供体。基于键离解能（BDE）值设计和实现自由基转移氢化。便宜，容易获得和易于处理的甲苯衍生物在自由基参与的反应中作为新的氢供体，为未来的还原反应提供了新颖而有希望的前景。