N-(2-amino-ethyl)-2-methoxy-4-(3-trifluoromethyl-3H-diazirin-3-yl)-benzamide | 679406-27-0

• 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: N-(2-amino-ethyl)-2-methoxy-4-(3-trifluoromethyl-3H-diazirin-3-yl)-benzamide
• 英文别名: N-(2-aminoethyl)-2-methoxy-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide
• CAS: 679406-27-0
• 化学式: C₁₂H₁₃F₃N₄O₂
• 分子量: 302.256
• InChiKey: YYTNXZPHHBKRSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  89.1
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-(2-amino-ethyl)-2-methoxy-4-(3-trifluoromethyl-3H-diazirin-3-yl)-benzamide 在 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 N-[2-(2-Aminooxy-acetylamino)-ethyl]-2-methoxy-4-(3-trifluoromethyl-3H-diazirin-3-yl)-benzamide
  参考文献：
  名称：

  Synthesis of photoaffinity probes of tautomycin

  摘要：

  Two types of photoaffinity: probe, which possesses a benzophenone or a diazirine photophore on the 2-position of tautomycin, were prepared in order to prove the details of binding site to PP1. These photoaffinity probes were designed on the basis of the structure-activity relationship; thus, the diacid moiety is indispensable. The selective introduction of photolabeling units on the 2-position of tautomycin was achieved through the 2-oxime of tautomycin diacid. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.12.053
• 作为产物：
  描述：

  2-甲氧基-4-[3-(三氟甲基)-3H-双吖丙啶-3-基]苯甲醛 在 吡啶 、 四丁基高锰酸胺盐 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.12h， 生成 N-(2-amino-ethyl)-2-methoxy-4-(3-trifluoromethyl-3H-diazirin-3-yl)-benzamide
  参考文献：
  名称：

  Synthesis of photoaffinity probes of tautomycin

  摘要：

  Two types of photoaffinity: probe, which possesses a benzophenone or a diazirine photophore on the 2-position of tautomycin, were prepared in order to prove the details of binding site to PP1. These photoaffinity probes were designed on the basis of the structure-activity relationship; thus, the diacid moiety is indispensable. The selective introduction of photolabeling units on the 2-position of tautomycin was achieved through the 2-oxime of tautomycin diacid. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.12.053

文献信息

• Synthesis of photoaffinity probes of tautomycin
  作者：Masakuni Kurono、Aya Shimomura、Minoru Isobe

  DOI：10.1016/j.tet.2003.12.053

  日期：2004.2

  Two types of photoaffinity: probe, which possesses a benzophenone or a diazirine photophore on the 2-position of tautomycin, were prepared in order to prove the details of binding site to PP1. These photoaffinity probes were designed on the basis of the structure-activity relationship; thus, the diacid moiety is indispensable. The selective introduction of photolabeling units on the 2-position of tautomycin was achieved through the 2-oxime of tautomycin diacid. (C) 2004 Elsevier Ltd. All rights reserved.