4-Thiocarbamoylmethyl-benzenesulfonyl chloride | 303967-83-1

• 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-Thiocarbamoylmethyl-benzenesulfonyl chloride
• 英文别名: 4-(2-Amino-2-sulfanylideneethyl)benzenesulfonyl chloride
• CAS: 303967-83-1
• 化学式: C₈H₈ClNO₂S₂
• mdl: MFCD19201002
• 分子量: 249.742
• InChiKey: BGQLMFBAFXVPIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Thiocarbamoylmethyl-benzenesulfonyl chloride 在 吡啶 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-(4-naphthalen-2-ylmethyl-thiazol-2-ylmethyl)-benzenesulfonamide
  参考文献：
  名称：

  Potent, selective 3-pyridylethanolamine β3 adrenergic receptor agonists possessing a thiazole benzenesulfonamide pharmacophore

  摘要：

  A series of thiazole benzenesulfonamide-substituted 3-pyridylethanolamines was prepared and evaluated for their human beta(3) adrenergic receptor agonist activity. Incorporation of aryl and heteroaryl substitution in the 4-position of the thiazole ring resulted in a number of highly potent and selective beta(3) agonists. Results of preliminary in vivo evaluation of several of these compounds is described. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00390-5
• 作为产物：
  描述：

  2-苯基硫代乙酰胺 在 氯磺酸 作用下， 反应 4.0h， 生成 4-Thiocarbamoylmethyl-benzenesulfonyl chloride
  参考文献：
  名称：

  Potent, selective 3-pyridylethanolamine β3 adrenergic receptor agonists possessing a thiazole benzenesulfonamide pharmacophore

  摘要：

  A series of thiazole benzenesulfonamide-substituted 3-pyridylethanolamines was prepared and evaluated for their human beta(3) adrenergic receptor agonist activity. Incorporation of aryl and heteroaryl substitution in the 4-position of the thiazole ring resulted in a number of highly potent and selective beta(3) agonists. Results of preliminary in vivo evaluation of several of these compounds is described. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00390-5