N-(3-Chlorobenzene-1-sulfonyl)-2,2-dimethylpropanamide | 189076-97-9

• 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: N-(3-Chlorobenzene-1-sulfonyl)-2,2-dimethylpropanamide
• 英文别名: N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide
• CAS: 189076-97-9
• 化学式: C₁₁H₁₄ClNO₃S
• 分子量: 275.756
• InChiKey: GNFSRHGZEXIIHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  71.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(3-Chlorobenzene-1-sulfonyl)-2,2-dimethylpropanamide 在 sodium tetrahydroborate 、 正丁基锂 作用下， 以 乙醇 为溶剂， 反应 13.0h， 生成 6-chloro-7-(2,2-dimethyl-1-oxopropyl)-2,3-dihydro-benzo[d]-1,2-thiazole-1,1-dioxide
  参考文献：
  名称：

  Synthesis of benzo[d]-1,2-thiazole-1,1-dioxide derivatives via directed lithiation of 2,2-dimethyl-N-(phenylsulfonyl)-propanamides

  摘要：

  A novel synthesis of 7-substituted benzo[d]-1,2-thiazole-1,l-dioxides 4 is presented including directed lithiation of 2,2-dimethyl-N-(phenylsulfonyl)-propanamides 1 - 3, aryne-mediated cyclization and subsequent quenching of aryllithium intermediates with various electrophiles. A proposed mechanism is rationalized by some control experiments. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00087-2
• 作为产物：
  描述：

  3-氯苯磺胺 、 三甲基乙酰氯 在 吡啶 作用下， 反应 48.0h， 以82%的产率得到N-(3-Chlorobenzene-1-sulfonyl)-2,2-dimethylpropanamide
  参考文献：
  名称：

  Synthesis of benzo[d]-1,2-thiazole-1,1-dioxide derivatives via directed lithiation of 2,2-dimethyl-N-(phenylsulfonyl)-propanamides

  摘要：

  A novel synthesis of 7-substituted benzo[d]-1,2-thiazole-1,l-dioxides 4 is presented including directed lithiation of 2,2-dimethyl-N-(phenylsulfonyl)-propanamides 1 - 3, aryne-mediated cyclization and subsequent quenching of aryllithium intermediates with various electrophiles. A proposed mechanism is rationalized by some control experiments. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00087-2

文献信息

• Sulfonamides
  申请人：Crosignani Stefano

  公开号：US20110028509A1

  公开（公告）日：2011-02-03

  The invention relates to compounds of formula I wherein R 1 , R 2 , R 4 , R a , R b , R c , R e , A*, W 1 , W 2 and W 3 are as defined in claim 16 , for the treatment of CXCR3 related diseases.

  该发明涉及式I的化合物，其中R1、R2、R4、Ra、Rb、Rc、Re、A*、W1、W2和W3的定义如权利要求16所述，用于治疗与CXCR3相关的疾病。
• Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US20170334894A1

  公开（公告）日：2017-11-23

  The present invention provides compounds of Formula I: and pharmaceutically acceptable salts thereof, pharmaceutical compositions comprising these compounds and methods of using these compounds to treat or prevent a disease or disorder mediated as FXR modulators. Specifically, the present invention relates to isoxazole derivatives useful as agonists for FXR, and methods for their preparation and use.
• Synthesis of benzo[d]-1,2-thiazole-1,1-dioxide derivatives via directed lithiation of 2,2-dimethyl-N-(phenylsulfonyl)-propanamides
  作者：Peter Stanetty、Barbara Krumpak、Thomas Emerschitz、Kurt Mereiter

  DOI：10.1016/s0040-4020(97)00087-2

  日期：1997.3

  A novel synthesis of 7-substituted benzo[d]-1,2-thiazole-1,l-dioxides 4 is presented including directed lithiation of 2,2-dimethyl-N-(phenylsulfonyl)-propanamides 1 - 3, aryne-mediated cyclization and subsequent quenching of aryllithium intermediates with various electrophiles. A proposed mechanism is rationalized by some control experiments. (C) 1997 Elsevier Science Ltd.