2,2-dimethyl-1-(phenylsulfonyl)pyrrolidine

• 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: 2,2-dimethyl-1-(phenylsulfonyl)pyrrolidine
• 英文别名: 1-benzenesulfonyl-2,2-dimethyl-pyrrolidine；1-Benzolsulfonyl-2,2-dimethyl-pyrrolidin；1-(Benzenesulfonyl)-2,2-dimethylpyrrolidine
• 化学式: C₁₂H₁₇NO₂S
• 分子量: 239.338
• InChiKey: AZBMSXVTOXJVPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  4-甲基-4-硝基戊酸甲酯 在 氢氧化钾 、 lithium aluminium tetrahydride 、 乙醚 作用下， 生成 2,2-dimethyl-1-(phenylsulfonyl)pyrrolidine
  参考文献：
  名称：

  The Preparation of Geminally Substituted 4-Bromobutylamines. II. 4-Bromo-2,2-dialkyl- and diarylbutylamines¹

  摘要：

  DOI：

  10.1021/ja01610a002

文献信息

• Amide-Group-Directed Protonolysis of Cyclopropane: An Approach to 2,2-Disubstituted Pyrrolidines
  作者：Marija Skvorcova、Aigars Jirgensons

  DOI：10.1021/acs.orglett.7b00584

  日期：2017.5.19

  Regioselective protonolytic C–C bond cleavage of acylated aminomethyl cyclopropanes can be achieved using trifluoroacetic acid. The intermediate tertiary carbenium ion undergoes an intramolecular amination to give 2,2-substituted pyrrolidines. The strength of the acid and the amine substituent are important factors to achieve high regioselectivity, suggesting intramolecular proton transfer from the

  使用三氟乙酸可以实现酰化氨基甲基环丙烷的区域选择性质子水解C–C键裂解。中间叔碳鎓离子进行分子内胺化，得到2，2-取代的吡咯烷。酸和胺取代基的强度是实现高区域选择性的重要因素，表明分子内质子从质子化酰胺官能团转移。初步的机理研究表明，进行环丙烷裂解时，质子附着的碳原子上的构型得以保留。该观察结果与CC键的“边缘”质子化轨迹一致。
• COMPOSITIONS COMPRISING AN INTEGRIN INHIBITOR AND AGENTS WHICH INTERACT WITH A CHEMOKINE AND METHODS OF USE THEREOF
  申请人：Saint Louis University

  公开号：US20190328706A1

  公开（公告）日：2019-10-31

  The present disclosure provides therapeutic agents including those of the formula: wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such therapeutic agents. Methods of using the therapeutic agents are also provided. The present disclosure further provides combinations of a VLA-4 inhibitor and an agent which interacts with a chemokine receptor, and methods of use thereof. In some embodiments, the disclosed combinations may be used in a method of mobilizing hematopoietic stem cells. In some embodiments, the disclosed methods may be used in the treatment of a condition which requires the collection of hematopoietic stem cells for transfusions or in chemotherapy. The present disclosure further provides methods of treating a patient comprising administering an agent which interacts with a chemokine such as G-CSF, plerixafor, or Gro-β and VLA-4 inhibitors.
• The Preparation of Geminally Substituted 4-Bromobutylamines. II. 4-Bromo-2,2-dialkyl- and diarylbutylamines¹
  作者：Ronald F. Brown、Norman M. van Gulick

  DOI：10.1021/ja01610a002

  日期：1955.3