1-(fluorosulfonyl)piperidine-4-carboxylic acid | 1839621-69-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-(fluorosulfonyl)piperidine-4-carboxylic acid
• 英文别名: 1-(fluorosulfonyl)-4-Piperidinecarboxylic acid；1-fluorosulfonylpiperidine-4-carboxylic acid
• CAS: 1839621-69-0
• 化学式: C₆H₁₀FNO₄S
• 分子量: 211.214
• InChiKey: INNKMRBKVRNGQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-哌啶甲酸 在 1-(fluorosulfonyl)-3-methyl-1H-imidazol-3-ium trifluoromethanesulfonate 作用下， 以 乙腈 为溶剂， 以39 %的产率得到1-(fluorosulfonyl)piperidine-4-carboxylic acid
  参考文献：
  名称：

  Desmethyl SuFEx-IT: SO₂F₂-Free Synthesis and Evaluation as a Fluorosulfurylating Agent

  摘要：

  DOI：

  10.1021/acs.joc.3c02643

文献信息

• Sulfur(VI) fluoride compounds and methods for the preparation thereof
  申请人：The Scripps Research Institute

  公开号：US10117840B2

  公开（公告）日：2018-11-06

  This application describes a compound represented by Formula (I): (I) wherein: Y is a biologically active organic core group comprising one or more of an aryl group, a heteroaryl aryl group, a nonaromatic hydrocarbyl group, and a nonaromatic heterocyclic group, to which Z is covalently bonded; n is 1, 2, 3, 4 or 5; m is 1 or 2; Z is O, NR, or N; X1 is a covalent bond or —CH2CH2—, X2 is O or NR; and R comprises H or a substituted or unsubstituted group selected from an aryl group, a heteroaryl aryl group, a nonaromatic hydrocarbyl group, and a nonaromatic heterocyclic group. Methods of preparing the compounds, methods of using the compounds, and pharmaceutical compositions comprising the compounds are described as well.

  该应用描述了由式(I)表示的化合物：(I)其中：Y是一个生物活性有机核心基团，包括芳基、杂芳基、非芳香烃基和非芳香杂环基中的一个或多个，其中Z与之以共价键结合；n为1、2、3、4或5；m为1或2；Z为O、NR或N；X1为共价键或—CH2CH2—，X2为O或NR；R包括H或从芳基、杂芳基、非芳香烃基和非芳香杂环基中选择的取代或未取代基团。还描述了制备这些化合物的方法、使用这些化合物的方法以及包含这些化合物的药物组合物。
• SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：US20170196985A1

  公开（公告）日：2017-07-13

  This application describes a compound represented by Formula (I): (I) wherein: Y is a biologically active organic core group comprising one or more of an aryl group, a heteroaryl aryl group, a nonaromatic hydrocarbyl group, and a nonaromatic heterocyclic group, to which Z is covalently bonded; n is 1, 2, 3, 4 or 5; m is 1 or 2; Z is O, NR, or N; X 1 is a covalent bond or —CH 2 CH 2 —, X 2 is O or NR; and R comprises H or a substituted or unsubstituted group selected from an aryl group, a heteroaryl aryl group, a nonaromatic hydrocarbyl group, and a nonaromatic heterocyclic group. Methods of preparing the compounds, methods of using the compounds, and pharmaceutical compositions comprising the compounds are described as well.