tert-butyl 3-((chlorosulfonyl)methyl)pyrrolidine-1-carboxylate | 1936031-97-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: tert-butyl 3-((chlorosulfonyl)methyl)pyrrolidine-1-carboxylate
• 英文别名: Tert-butyl 3-[(chlorosulfonyl)methyl]pyrrolidine-1-carboxylate；tert-butyl 3-(chlorosulfonylmethyl)pyrrolidine-1-carboxylate
• CAS: 1936031-97-8
• 化学式: C₁₀H₁₈ClNO₄S
• 分子量: 283.776
• InChiKey: UHFFWPGLYAMRBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-((chlorosulfonyl)methyl)pyrrolidine-1-carboxylate 在 potassium fluoride 、 18-冠醚-6 作用下， 以 乙腈 为溶剂， 反应 0.16h， 以90%的产率得到tert-butyl 3-((fluorosulfonyl)methyl)pyrrolidine-1-carboxylate
  参考文献：
  名称：

  饱和杂环氨基磺酰基氟化物：用于保护无酰胺基合成磺酰胺的新型支架

  摘要：

  合成了环状饱和氨基磺酰氟盐酸盐作为HCl盐。发现该化合物在储存时稳定，可用于无保护基团的磺酰胺合成。在-SO 2 F基团的存在下，氮原子可通过酰化，芳基化或还原性胺化进行修饰，以产生具有高潜力合成生物活性化合物的产物。

  DOI：

  10.1002/chem.201801140
• 作为产物：
  描述：

  tert-butyl 3-((acetylthio)methyl)pyrrolidine-1-carboxylate 在 氯 作用下， 以 二氯甲烷 、 水 为溶剂， 以58%的产率得到tert-butyl 3-((chlorosulfonyl)methyl)pyrrolidine-1-carboxylate
  参考文献：
  名称：

  饱和杂环氨基磺酰基氟化物：用于保护无酰胺基合成磺酰胺的新型支架

  摘要：

  合成了环状饱和氨基磺酰氟盐酸盐作为HCl盐。发现该化合物在储存时稳定，可用于无保护基团的磺酰胺合成。在-SO 2 F基团的存在下，氮原子可通过酰化，芳基化或还原性胺化进行修饰，以产生具有高潜力合成生物活性化合物的产物。

  DOI：

  10.1002/chem.201801140

文献信息

• NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS
  申请人：Inflazome Limited

  公开号：US20200361895A1

  公开（公告）日：2020-11-19

  The present invention relates to compounds of formula (I): wherein Q is selected from O or S; R 1 is a saturated or unsaturated, optionally substituted hydrocarbyl group optionally including one or more heteroatoms N, O or S; and R 2 is a cyclic group substituted at the α-position with a monovalent heterocyclic group or a monovalent aromatic group, wherein a ring atom of the heterocyclic or aromatic group is directly attached to the α ring atom of the cyclic group, wherein the heterocyclic or aromatic group may optionally be substituted, and wherein the cyclic group may optionally be further substituted. The present invention further relates to salts, solvates and prodrugs of such compounds, to pharmaceutical compositions comprising such compounds, and to the use of such compounds in the treatment and prevention of medical disorders and diseases, most especially by the inhibition of NLRP3.
• [EN] NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS DE SULFONAMIDE CARBOXAMIDE
  申请人：INFLAZOME LTD

  公开号：WO2019034686A1

  公开（公告）日：2019-02-21

  The present invention relates to compounds of formula (I): Formula (I) wherein Q is selected from O or S; R1 is a saturated or unsaturated, optionally substituted hydrocarbyl group optionally including one or more heteroatoms N, O or S; and R2 is a cyclic group substituted at the α-position with a monovalent heterocyclic 10 group or a monovalent aromatic group, wherein a ring atom of the heterocyclic or aromatic group is directly attached to the α ring atom of the cyclic group, wherein the heterocyclic or aromatic group may optionally be substituted, and wherein the cyclic group may optionally be further substituted. The present invention further relates to salts, solvates and prodrugs of such compounds, to pharmaceutical compositions comprising such compounds, and to the use of such compounds in the treatment and prevention of medical disorders and diseases, most especially by the inhibition of NLRP3.