2-(o-Hydroxyphenyl)-6-nitrobenzoxazol | 13459-18-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(o-Hydroxyphenyl)-6-nitrobenzoxazol
• 英文别名: 6-nitro-2-(2-hydroxyphenyl)benzoxazole；2-(6-nitro-benzooxazol-2-yl)-phenol；2-(6-Nitro-1,3-benzoxazol-2-yl)phenol
• CAS: 13459-18-2
• 化学式: C₁₃H₈N₂O₄
• 分子量: 256.218
• InChiKey: ROYSLARVTXRLAK-UHFFFAOYSA-N

物化性质

• 熔点：
  186-189 °C(Solv: methanol (67-56-1))
• 沸点：
  421.7±20.0 °C(Predicted)
• 密度：
  1.463±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  92.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-(2,2-Dimethyl-2H-benzo[e][1,3]oxazin-4-ylamino)-5-nitro-phenol 在 对甲苯磺酸 作用下， 以 xylene 为溶剂， 以92%的产率得到2-(o-Hydroxyphenyl)-6-nitrobenzoxazol
  参考文献：
  名称：

  Tachikawa, Ryuji; Wachi, Kazuyuki; Terada, Atsusuke, Heterocycles, 1981, vol. 16, # 7, p. 1165 - 1168

  摘要：

  DOI：

文献信息

• Phenylboronic acid catalyzed-cyanide promoted, one-pot synthesis of 2-(2-hydroxyphenyl)benzoxazole derivatives
  作者：Heraclio López-Ruiz、Horacio Briseño-Ortega、Susana Rojas-Lima、Rosa Santillan、Norberto Farfán

  DOI：10.1016/j.tetlet.2011.06.039

  日期：2011.8

  A novel, one-pot, phenylboronic acid catalyzed, cyanide promoted synthesis of 2-(2-hydroxyphenyl)benzoxazoles from salicylaldehydes and o-aminophenols is described. The synthesis is characterized by mild conditions, short reaction times, and simple workup of crystalline, high purity products. (C) 2011 Elsevier Ltd. All rights reserved.
• An efficient potassium cyanide-promoted synthesis of 2-arylbenzoxazoles from [4.3.0]boron heterobicycles
  作者：Heraclio López-Ruiz、Horacio Briseño-Ortega、Susana Rojas-Lima、Rosa Santillán、Norberto Farfán

  DOI：10.1016/j.tetlet.2010.03.027

  日期：2010.5

  The 2-arylbenzoxazoles 3a-f were produced in moderate to excellent yields merely by stirring a potassium cyanide (3 equiv)-containing methanol solution of the borobicyclic compounds 1a-f at room temperature. These compounds were fully characterized spectroscopically [1R, H-1, and C-13 NMR and X-ray analysis (3a)] and by elemental analysis. Crown Copyright (C) 2010 Published by Elsevier Ltd. All rights reserved.
• SKOPENKO, V. N.;OLSHEVSKAYA, I. A.;POCHINOK, V. YA.;OLXOVIK, L. A., YKP. XIM. ZH., 1985, 51, N 3, 316-320
  作者：SKOPENKO, V. N.、OLSHEVSKAYA, I. A.、POCHINOK, V. YA.、OLXOVIK, L. A.

  DOI：——

  日期：——