6-acetamido-3-ethyl-2-methylbenzo[d]thiazol-3-ium iodide | 129417-13-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 6-acetamido-3-ethyl-2-methylbenzo[d]thiazol-3-ium iodide
• 英文别名: 6-acetylamino-3-ethyl-2-methyl-benzothiazolium; iodide；6-Acetylamino-3-aethyl-2-methyl-benzothiazolium; Jodid；N-(3-ethyl-2-methyl-1,3-benzothiazol-3-ium-6-yl)acetamide;iodide
• CAS: 129417-13-6
• 化学式: C₁₂H₁₅N₂OS*I
• 分子量: 362.234
• InChiKey: LEAKQPXBSBLZCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.52
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  32.98
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  6-acetamido-3-ethyl-2-methylbenzo[d]thiazol-3-ium iodide 、 原甲酸三乙酯 以 吡啶 为溶剂， 生成 6-acetamido-2-((1E,3E)-3-(6-acetamido-3-ethylbenzo[d]thiazol-2(3H)-ylidene)prop-1-en-1-yl)-3-ethylbenzo[d]thiazol-3-ium iodide
  参考文献：
  名称：

  Identification and structural determination of a potent p-selectin inhibitor

  摘要：

  Small quantities of a potent P-selectin inhibitor, 2 (IC50 = 0.2 muM), were isolated and an initial structure proposed based on 1D proton NMR. A reterosynthetic analysis of the proposed structure led us to a total synthesis of 2. NMR studies using the 2-D homo-TOCSY and NOESY and 2-D hetero-HMQC helped to confirm the structure of 2. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00298-4

文献信息

• Boron trifluoride–methanol complex. Mild and powerful reagent for deprotection of acetylated amines. Scope and selectivity
  作者：Sergey Miltsov、Vladimir Karavan、Alexandr Misharev、Julian Alonso-Chamarro、Mar Puyol

  DOI：10.1016/j.tetlet.2015.12.087

  日期：2016.2

  A boron trifluoride–methanol complex demonstrated remarkable deprotection selectivity against commonly used amino-protecting groups in the deacetylation of acetanilides and high sensitivity to the steric hindrance of substrates. The scope and limitations of the reaction were explored.

  三氟化硼-甲醇络合物在对乙酰苯胺的脱乙酰作用中对常用的氨基保护基团表现出显着的脱保护选择性，并对底物的空间位阻高度敏感。探索了反应的范围和局限性。
• 63. Thiazinocyanines. Part II. Cyanines containing the dihydro-1 : 3-thiazine nucleus
  作者：Frances M. Hamer、Russell J. Rathbone

  DOI：10.1039/jr9430000243

  日期：——