4-chloro-3(1,1-dimethylethyl)-N-(1,1-dimethylethyl)-benzo[d]-1,2-thiazole-1,1-dioxide-7-carboxamide | 189077-11-0

• 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: 4-chloro-3(1,1-dimethylethyl)-N-(1,1-dimethylethyl)-benzo[d]-1,2-thiazole-1,1-dioxide-7-carboxamide
• 英文别名: N,3-ditert-butyl-4-chloro-1,1-dioxo-1,2-benzothiazole-7-carboxamide
• CAS: 189077-11-0
• 化学式: C₁₆H₂₁ClN₂O₃S
• 分子量: 356.873
• InChiKey: YHRIVHPKSIECBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  84
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-chloro-3(1,1-dimethylethyl)-N-(1,1-dimethylethyl)-benzo[d]-1,2-thiazole-1,1-dioxide-7-carboxamide 在 三氯氧磷 作用下， 以54%的产率得到4-chloro-3-(1,1-dimethylethyl)-benzo[d]-1,2-thiazole-1,1-dioxide-7-carbonitrile
  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 在 吡啶 、 正丁基锂 作用下， 反应 56.0h， 生成 4-chloro-3(1,1-dimethylethyl)-N-(1,1-dimethylethyl)-benzo[d]-1,2-thiazole-1,1-dioxide-7-carboxamide
  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

• 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.