2-(5-Nitro-2-hydroxy-phenyl)-1,3-dioxan | 94407-04-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-(5-Nitro-2-hydroxy-phenyl)-1,3-dioxan
• 英文别名: 2-[1,3]dioxan-2-yl-4-nitro-phenol；2-(1,3-Dioxan-2-yl)-4-nitrophenol
• CAS: 94407-04-2
• 化学式: C₁₀H₁₁NO₅
• 分子量: 225.201
• InChiKey: DRGPRKWHEOQFQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  84.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(5-Nitro-2-hydroxy-phenyl)-1,3-dioxan 在 palladium on activated charcoal 氢气 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-[4-(5-Amino-6-chloro-pyrimidin-4-yloxy)-3-[1,3]dioxan-2-yl-phenyl]-3-(4-chloro-3-trifluoromethyl-phenyl)-urea
  参考文献：
  名称：

  Pyrimido-oxazepine as a versatile template for the development of inhibitors of specific kinases

  摘要：

  Pyrimido-oxazepine based sub-micromolar inhibitors (2-4) for Aurora and FLT-3 were designed and synthesized. These preliminary results supported the potential use of pyrimido-oxazepines as a versatile template for developing specific kinase inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.098
• 作为产物：
  描述：

  5-硝基水杨醛 、 1,3-丙二醇 在 对甲苯磺酸 作用下， 以95%的产率得到2-(5-Nitro-2-hydroxy-phenyl)-1,3-dioxan
  参考文献：
  名称：

  Pyrimido-oxazepine as a versatile template for the development of inhibitors of specific kinases

  摘要：

  Pyrimido-oxazepine based sub-micromolar inhibitors (2-4) for Aurora and FLT-3 were designed and synthesized. These preliminary results supported the potential use of pyrimido-oxazepines as a versatile template for developing specific kinase inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.098

文献信息

• Aliyan, Hamid; Fazaeli, Razieh; Massah, Ahmad Reza, Asian Journal of Chemistry, 2010, vol. 22, # 2, p. 873 - 876
  作者：Aliyan, Hamid、Fazaeli, Razieh、Massah, Ahmad Reza、Momeni, Ahmad Reza、Naghash, Hamid Javaherian、Moeinifard, Behzad

  DOI：——

  日期：——
• Pyrimido-oxazepine as a versatile template for the development of inhibitors of specific kinases
  作者：Weitao Pan、Hu Liu、Yong-Jiang Xu、Xin Chen、Ki Hwan Kim、Daniel L. Milligan、John Columbus、Yaron R. Hadari、Paul Kussie、Wai C. Wong、Marc Labelle

  DOI：10.1016/j.bmcl.2005.08.098

  日期：2005.12

  Pyrimido-oxazepine based sub-micromolar inhibitors (2-4) for Aurora and FLT-3 were designed and synthesized. These preliminary results supported the potential use of pyrimido-oxazepines as a versatile template for developing specific kinase inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.