(5-cyano-2-nitrophenyl)boronic acid | 860034-13-5

• 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: (5-cyano-2-nitrophenyl)boronic acid
• 英文别名: B-(5-Cyano-2-nitrophenyl)boronic acid
• CAS: 860034-13-5
• 化学式: C₇H₅BN₂O₄
• 分子量: 191.939
• InChiKey: CCDBEDZKWQIRKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.85
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-iodo-4-nitrobenzonitrile 在 magnesium,1,3,5-trimethylbenzene-6-ide,bromide 、 硼酸三甲酯 、 盐酸 作用下， 以 四氢呋喃 为溶剂， 以76%的产率得到(5-cyano-2-nitrophenyl)boronic acid
  参考文献：
  名称：

  A facile and convenient synthesis of functionalized ortho-nitrophenylboronic acids

  摘要：

  A variety of ortho-nitrophenylboronic acids bearing functional groups such as cyano, nitro, halo, alpha-bromomethyl, and ester were prepared in good yields via I-Mg exchange followed by quenching with trimethyl borate. All reagents employed in this procedure are commercially available and were used without further purification, and the procedure can be executed in about an hour. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.04.129

文献信息

• A facile and convenient synthesis of functionalized ortho-nitrophenylboronic acids
  作者：Scott E. Collibee、Jiaxin Yu

  DOI：10.1016/j.tetlet.2005.04.129

  日期：2005.6

  A variety of ortho-nitrophenylboronic acids bearing functional groups such as cyano, nitro, halo, alpha-bromomethyl, and ester were prepared in good yields via I-Mg exchange followed by quenching with trimethyl borate. All reagents employed in this procedure are commercially available and were used without further purification, and the procedure can be executed in about an hour. (c) 2005 Elsevier Ltd. All rights reserved.