3-(2-tetrahydropyranyloxy)nitrobenzene | 28659-20-3

• 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-(2-tetrahydropyranyloxy)nitrobenzene
• 英文别名: m-tetrahydropyran-2-yloxynitrobenzene；2-(3-nitrophenoxy)tetrahydro-2H-pyran；2-(3-nitrophenoxy)oxane
• CAS: 28659-20-3
• 化学式: C₁₁H₁₃NO₄
• 分子量: 223.229
• InChiKey: HFVCSRUCFXZPPX-UHFFFAOYSA-N

物化性质

• 沸点：
  369.7±32.0 °C(Predicted)
• 密度：
  1.248±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  64.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(2-tetrahydropyranyloxy)nitrobenzene 在 acid-washed bentonite 作用下， 以 丙酮 为溶剂， 反应 0.83h， 以97%的产率得到间硝基苯酚
  参考文献：
  名称：

  酸洗膨润土：一种用于四氢吡喃醚脱保护的新试剂

  摘要：

  酸洗（pH 4 和pH 6）的膨润土在温和条件下以良好的产率将四氢吡喃基醚裂解为相应的醇。

  DOI：

  10.3184/174751911x13133127427965
• 作为产物：
  描述：

  3,4-二氢-2H-吡喃 、 间硝基苯酚 在 sulfonated ordered mesoporous carbon (CMK-5-SO₃H) 作用下， 以 neat (no solvent) 为溶剂， 反应 2.67h， 以70%的产率得到3-(2-tetrahydropyranyloxy)nitrobenzene
  参考文献：
  名称：

  Solvent-free acetylation and tetrahydropyranylation of alcohols catalyzed by recyclable sulfonated ordered nanostructured carbon

  摘要：

  在无溶剂反应条件下，利用环境友好的磺酸化有序纳米多孔碳（CMK-5-SO3H）催化剂，快速且实用地对结构多样的醇和酚进行绿色乙酰化和四氢吡喃基化反应，获得优异的产率。催化剂的无毒性、易于处理、回收和重复使用，以及无溶剂的特性将所提出的方法描述为高效的方法。这些方法提供了通过简单过滤分离产物的途径。

  DOI：

  10.2478/s11696-013-0369-x

文献信息

• MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS
  申请人：Combs Andrew Paul

  公开号：US20090286778A1

  公开（公告）日：2009-11-19

  The present invention relates to macrocyclic compounds of Formula I: or pharmaceutically acceptable salts thereof or quaternary ammonium salts thereof wherein constituent members are provided hereinwith, as well as their compositions and methods of use, which are JAK/ALK inhibitors useful in the treatment of JAK/ALK-associated diseases including, for example, inflammatory and autoimmune disorders, as well as cancer.

  本发明涉及以下化学式I的大环化合物： 或其药用可接受盐或季铵盐，其中所述成员在此提供，并且它们的组成物和使用方法，这些JAK/ALK抑制剂在治疗JAK/ALK相关疾病中有用，例如炎症和自身免疫性疾病以及癌症。
• Dowex 50WX4–100: An Efficient Catalyst for the Tetrahydropyranylation of Alcohols
  作者：P. S. Poon、Ajoy K. Banerjee、Liadis Bedoya、Manuel S. Laya、Elvia V. Cabrera、Karla M. Albornoz

  DOI：10.1080/00397910902774059

  日期：2009.8.20

  Abstract The ion-exchange resin Dowex 50WX4–100 has been found to catalyze efficiently the protection reaction of a variety of alcohols with 2,3-dihydro-4H pyran (DHP) and dichloromethane at ambient conditions.

  摘要 已发现离子交换树脂 Dowex 50WX4-100 在环境条件下可有效催化多种醇与 2,3-二氢-4H 吡喃 (DHP) 和二氯甲烷的保护反应。
• Z-Isomers of 3,3′-disubstituted azobenzenes highly compatible with liquid crystals
  作者：Christian Ruslim、Kunihiro Ichimura

  DOI：10.1039/a808083f

  日期：——

  It is known that mesophase changes can be induced by E-Z photoisomerization of azobenzenes doped in liquid crystals. Novel azobenzenes have been designed on the basis of Molecular Mechanics and Molecular Orbital calculation, aimed at exploiting novel photoresponsive guest-host liquid crystalline systems exhibiting no mesophase change despite the drastic structural alteration of the guest molecules. It was found that the introduction of alkanoyloxy groups at both the 3- and 3′-positions of azobenzene leads to phase stability of nematic systems upon the E-Z photoisomerization even at a dopant concentration as high as 20 wt%. However phase separation was brought about when 3,3′-dialkoxyazobenzenes and 4,4′-dialkoxyazobenzenes were employed as guest molecules. The relation between the conformational structures of the guests in their E- and Z-isomers and their compatibility with nematic hosts was examined thermodynamically. Experimental results were compared in some details with the simulations. It was shown that 3,3′-dialkanoyloxyazobenzene prefers a rod-like structure in both E- and Z-isomers.

  已知，掺杂在液晶中的偶氮苯通过E-Z光异构化可以诱导中间相的变化。在分子力学和分子轨道计算的基础上，设计了新型的偶氮苯，旨在利用新型光响应的客-主液晶系统，尽管客分子的结构发生了剧烈变化，但仍不会出现中间相的变化。研究发现，在偶氮苯的3位和3′位引入烷基氧基团会导致在E-Z光异构化过程中即使在高达20 wt%的掺杂浓度下，向列型系统的相稳定性。然而，当使用3,3′-二烷氧基偶氮苯和4,4′-二烷氧基偶氮苯作为客分子时，会导致相分离。研究了客分子的E-和Z异构体的构象结构与其与向列型主分子的相容性之间的热力学关系。实验结果与某些仿真结果进行了详细比较。结果表明，3,3′-二烷基氧基偶氮苯在E-和Z异构体中更倾向于呈现杆状结构。
• Z-Isomers of Azobenzenes Highly Compatible with Liquid Crystals
  作者：Christian Ruslim、Kunihiro Ichimura

  DOI：10.1246/cl.1998.789

  日期：1998.8

  Novel guest-host liquid crystal systems containing 3,3-disubstituted azobenzenes as guests were prepared on the basis of molecular design by molecular calculations to achieve the improvement of compatibility of the chromophore with nematic phases. No phase change of nematic liquid crystals was induced by the E-to-Z photoisomerization of the guests even at doped concentrations as high as 20 wt%.

  基于分子计算的分子设计，制备了含有3,3-二取代偶氮苯作为客体的新型客体-宿主液晶系统，以改善染料与向列相的相容性。即使在掺杂浓度高达20 wt%时，客体的E-Z光异构化也未引起向列液晶的相变。
• Triazole derivatives useful as Axl inhibitors
  申请人：Singh Rajinder

  公开号：US20070213375A1

  公开（公告）日：2007-09-13

  Triazole derivatives and pharmaceutical compositions containing the derivatives are disclosed as being useful in inhibiting the activity of the receptor protein tyrosine kinase Axl. Methods of using the derivatives in treating diseases or conditions associated with Axl catalytic activity are also disclosed.

  本发明揭示了三唑衍生物及含有该衍生物的制药组合物，其在抑制受体蛋白酪氨酸激酶Axl的活性方面具有有用性。本发明还揭示了使用该衍生物治疗与Axl催化活性相关的疾病或病况的方法。