| 1447963-03-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1447963-03-2
• 化学式: C₁₉H₁₉BIN₃O
• 分子量: 443.095
• InChiKey: GCBWXHSTWQCNNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  25.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  59.31
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  16-[2-[2,3-Di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]hexadecanoic acid 、 在 N-羟基-7-氮杂苯并三氮唑 、 碳酸氢钠 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 生成 2-(4-Methoxyphenyl)pyrano[2,3-g][1,3]benzothiazol-7-one
  参考文献：
  名称：

  Solid-supported ortho-iodoarylboronic acid catalyst for direct amidation of carboxylic acids

  摘要：

  Amides are a ubiquitous class of organic compounds endowed with great utility. There is a need for simple and effective catalytic methods for their direct formation from carboxylic acids and amines as a way to avoid the use of coupling reagents. We have designed a recyclable resin-supported derivative of 5-methoxy-2-iodophenylboronic acid as a heterogeneous catalyst active in ambient conditions for promoting direct amidations of aliphatic carboxylic acids and amines. The optimal, practical procedure involves a simple double-filtration to isolate the amide product while separating the catalyst from residual molecular sieves. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.06.043
• 作为产物：
  描述：

  2-碘-5-甲氧基苯硼酸 在 2,6-二甲基吡啶 、 叔丁基二甲硅基三氟甲磺酸酯 、 三溴化硼 、 potassium carbonate 、 potassium iodide 作用下， 以 正庚烷 、 二氯甲烷 、 二甲基亚砜 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 60.0h， 生成
  参考文献：
  名称：

  Solid-supported ortho-iodoarylboronic acid catalyst for direct amidation of carboxylic acids

  摘要：

  Amides are a ubiquitous class of organic compounds endowed with great utility. There is a need for simple and effective catalytic methods for their direct formation from carboxylic acids and amines as a way to avoid the use of coupling reagents. We have designed a recyclable resin-supported derivative of 5-methoxy-2-iodophenylboronic acid as a heterogeneous catalyst active in ambient conditions for promoting direct amidations of aliphatic carboxylic acids and amines. The optimal, practical procedure involves a simple double-filtration to isolate the amide product while separating the catalyst from residual molecular sieves. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.06.043