N-[5-(2-Chloro-acetyl)-2-hydroxy-phenyl]-methanesulfonamide | 508233-89-4

• 英文名称: N-[5-(2-Chloro-acetyl)-2-hydroxy-phenyl]-methanesulfonamide
• 英文别名: N-[5-(2-chloroacetyl)-2-hydroxyphenyl]methanesulfonamide
• CAS: 508233-89-4
• 化学式: C₉H₁₀ClNO₄S
• 分子量: 263.702
• InChiKey: XTYPQRQYGVAEOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.19
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  83.47
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-[5-(2-Chloro-acetyl)-2-hydroxy-phenyl]-methanesulfonamide 在 palladium on activated charcoal sodium azide 、 硼烷 、 氢气 、 sodium cyanoborohydride 、 溶剂黄146 、 sodium iodide 、 (R)-2-甲基-CBS-恶唑硼烷 作用下， 以 甲醇 为溶剂， 生成 N-(5-{(R)-2-[(1-{4-[3-(2,5-Difluoro-benzyl)-ureido]-benzenesulfonyl}-piperidin-4-ylmethyl)-amino]-1-hydroxy-ethyl}-2-hydroxy-phenyl)-methanesulfonamide
  参考文献：
  名称：

  Novel substituted 4-aminomethylpiperidines as potent and selective human β3-agonists. Part 2: Arylethanolaminomethylpiperidines

  摘要：

  The synthesis and SAR of a series of beta(3) adrenoreceptor agonists based on a novel template derived from 4-aminomethylpiperidine coupled with a common pharmacophore, arylethylamine, is described. This combination led to the identification of human beta(3) adrenoreceptor agonists with in vivo activity in a transgenic mouse model. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00608-x
• 作为产物：
  描述：

  N-(5-乙酰基-2-羟基苯基)甲磺酰胺 在 benzyltrimethylazanium tetrachloro-λ³-iodanuide 作用下， 以63%的产率得到N-[5-(2-Chloro-acetyl)-2-hydroxy-phenyl]-methanesulfonamide
  参考文献：
  名称：

  Novel substituted 4-aminomethylpiperidines as potent and selective human β3-agonists. Part 2: Arylethanolaminomethylpiperidines

  摘要：

  The synthesis and SAR of a series of beta(3) adrenoreceptor agonists based on a novel template derived from 4-aminomethylpiperidine coupled with a common pharmacophore, arylethylamine, is described. This combination led to the identification of human beta(3) adrenoreceptor agonists with in vivo activity in a transgenic mouse model. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00608-x