Trifluoro-methanesulfonic acid 6-tert-butoxycarbonylamino-naphthalen-2-yl ester | 359784-06-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Trifluoro-methanesulfonic acid 6-tert-butoxycarbonylamino-naphthalen-2-yl ester
• CAS: 359784-06-8
• 化学式: C₁₆H₁₆F₃NO₅S
• 分子量: 391.368
• InChiKey: FETQKVILQVZKSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.42
• 重原子数：
  26.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  81.7
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  Trifluoro-methanesulfonic acid 6-tert-butoxycarbonylamino-naphthalen-2-yl ester 在 bis-triphenylphosphine-palladium(II) chloride 、 C₆H₁₀ 、 草酰氯 、 硼烷 、 三乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-(6-Amino-naphthalen-2-yl)-N-[2-(3,4-bis-benzyloxy-phenyl)-ethyl]-acetamide
  参考文献：
  名称：

  Tetrahydroisoquinoline derivatives containing a benzenesulfonamide moiety as potent, selective human β3 adrenergic receptor agonists

  摘要：

  Tetrahydroisoquinoline derivatives containing a 4-(hexylureido)benzenesulfonamide were examined as human beta (3) adrenergic receptor (AR) agonists. Notably, 4,4-biphenyl derivative 9 was a 6 nM full agonist of the beta (3) AR. Naphthyloxy compound 18 (beta (3) EC50 = 78 nM) did not activate the beta (1) and beta (2) ARs at 10 muM, and showed >1000-fold selectivity over binding to the beta (1) and beta (2) ARs. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00459-5
• 作为产物：
  描述：

  N-苯基双(三氟甲烷磺酰)亚胺 、 6-Hydroxynaphth-2-ylcarbamic acid, 1,1-dimethylethyl ester 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 Trifluoro-methanesulfonic acid 6-tert-butoxycarbonylamino-naphthalen-2-yl ester
  参考文献：
  名称：

  Tetrahydroisoquinoline derivatives containing a benzenesulfonamide moiety as potent, selective human β3 adrenergic receptor agonists

  摘要：

  Tetrahydroisoquinoline derivatives containing a 4-(hexylureido)benzenesulfonamide were examined as human beta (3) adrenergic receptor (AR) agonists. Notably, 4,4-biphenyl derivative 9 was a 6 nM full agonist of the beta (3) AR. Naphthyloxy compound 18 (beta (3) EC50 = 78 nM) did not activate the beta (1) and beta (2) ARs at 10 muM, and showed >1000-fold selectivity over binding to the beta (1) and beta (2) ARs. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00459-5