[3-(5-Borono-2-methoxyphenoxy)-4-methoxyphenyl]boronic acid | 159163-68-5

• 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: [3-(5-Borono-2-methoxyphenoxy)-4-methoxyphenyl]boronic acid
• 英文别名: [3-(5-borono-2-methoxyphenoxy)-4-methoxyphenyl]boronic acid
• CAS: 159163-68-5
• 化学式: C₁₄H₁₆B₂O₇
• 分子量: 317.899
• InChiKey: OBKUMMJVQMHFDK-UHFFFAOYSA-N

物化性质

• 沸点：
  561.9±60.0 °C(predicted)
• 密度：
  1.36±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.14
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  109
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [3-(5-Borono-2-methoxyphenoxy)-4-methoxyphenyl]boronic acid 、 D-allose 在 choline hxdroxide 作用下， 以 甲醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Allosteric Interaction of Metal Ions with Saccharides in a Crowned Diboronic Acid

  摘要：

  A diboronic acid saccharide (covalent) receptor site and a crown metal ion (electrostatic) receptor site are successfully coupled in an allosteric system. The binding of monosaccharides with 2b as intramolecular 1:1 complexes was monitored by circular dichroism (CD). Added calcium perchlorate reduces the binding of the 1:1 saccharide complexes as followed by a decrease in the CD activity. This is a novel allosteric system which mimics the action of the Na+/D-glucose cotransport protein in nature.

  DOI：

  10.1021/ja00090a004
• 作为产物：
  描述：

  硼酸三甲酯 、 2,2'-dimethoxy-5,5'-dibromodiphenyl ether 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以73%的产率得到[3-(5-Borono-2-methoxyphenoxy)-4-methoxyphenyl]boronic acid
  参考文献：
  名称：

  Allosteric Interaction of Metal Ions with Saccharides in a Crowned Diboronic Acid

  摘要：

  A diboronic acid saccharide (covalent) receptor site and a crown metal ion (electrostatic) receptor site are successfully coupled in an allosteric system. The binding of monosaccharides with 2b as intramolecular 1:1 complexes was monitored by circular dichroism (CD). Added calcium perchlorate reduces the binding of the 1:1 saccharide complexes as followed by a decrease in the CD activity. This is a novel allosteric system which mimics the action of the Na+/D-glucose cotransport protein in nature.

  DOI：

  10.1021/ja00090a004

文献信息

• Allosteric Interaction of Metal Ions with Saccharides in a Crowned Diboronic Acid
  作者：Gang Deng、Tony D. James、Seiji Shinkai

  DOI：10.1021/ja00090a004

  日期：1994.6

  A diboronic acid saccharide (covalent) receptor site and a crown metal ion (electrostatic) receptor site are successfully coupled in an allosteric system. The binding of monosaccharides with 2b as intramolecular 1:1 complexes was monitored by circular dichroism (CD). Added calcium perchlorate reduces the binding of the 1:1 saccharide complexes as followed by a decrease in the CD activity. This is a novel allosteric system which mimics the action of the Na+/D-glucose cotransport protein in nature.