1,3-二乙酰氧基-2-(4-硝基苯基)丙烷 | 131605-29-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,3-二乙酰氧基-2-(4-硝基苯基)丙烷
• 英文名称: 1,3-diacetoxy-2-(4-nitrophenyl)propane
• 英文别名: [3-Acetyloxy-2-(4-nitrophenyl)propyl] acetate
• CAS: 131605-29-3
• 化学式: C₁₃H₁₅NO₆
• 分子量: 281.265
• InChiKey: IQWDLGRJOSTYDD-UHFFFAOYSA-N

物化性质

• 沸点：
  400.7±35.0 °C(Predicted)
• 密度：
  1.253±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,3-二乙酰氧基-2-(4-硝基苯基)丙烷 在 palladium on activated charcoal 吡啶 、 氢气 作用下， 以 乙醇 为溶剂， 反应 2.25h， 生成 1,3-diacetoxy-2-<(4-benzyloxycarbonylamino)phenyl>propane
  参考文献：
  名称：

  Enzyme catalyzed monohydrolysis of 2-aryl-1 3-propanediol diacetates. A study of structural effects of the aryl moiety on the enantioselectivity

  摘要：

  DOI：

  10.1016/s0040-4020(01)87892-3
• 作为产物：
  描述：

  2-Phenyl-1,3-diacetoxy-propan 在 硝酸 作用下， 以68%的产率得到1,3-二乙酰氧基-2-(4-硝基苯基)丙烷
  参考文献：
  名称：

  Enzyme catalyzed monohydrolysis of 2-aryl-1 3-propanediol diacetates. A study of structural effects of the aryl moiety on the enantioselectivity

  摘要：

  DOI：

  10.1016/s0040-4020(01)87892-3

文献信息

• Reducing ion channel activity in a series of 4-heterocyclic arylamide FMS inhibitors
  作者：Kenneth J. Wilson、Carl R. Illig、Jinsheng Chen、Mark J. Wall、Shelley K. Ballentine、Renee L. DesJarlais、Yanmin Chen、Carsten Schubert、Robert Donatelli、Ioanna Petrounia、Carl S. Crysler、Christopher J. Molloy、Margery A. Chaikin、Carl L. Manthey、Mark R. Player、Bruce E. Tomczuk、Sanath K. Meegalla

  DOI：10.1016/j.bmcl.2010.05.013

  日期：2010.7

  During efforts to improve the bioavailability of FMS kinase inhibitors 1 and 2, a series of saturated and aromatic 4-heterocycles of reduced basicity were prepared and evaluated in an attempt to also improve the cardiovascular safety profile over lead arylamide 1, which possessed ion channel activity. The resultant compounds retained excellent potency and exhibited diminished ion channel activity. (c) 2010 Elsevier Ltd. All rights reserved.
• Ferrocenyl Derivatives with One, Two, or Three Sulfur-Containing Arms for Self-Assembled Monolayer Formation
  作者：Jian Hu、Daniell Lewis Mattern

  DOI：10.1021/jo9909812

  日期：2000.4.1

  Self-assembled monolayers of electroactive molecules can form on gold electrodes if the molecules include a sulfur-containing group to coordinate with the gold surface. We have prepared a molecule with a tripod of sulfur groups that has the potential of fixing the geometry of the molecule relative to the gold surface. The target (3) contained the good one-electron donor ferrocene connected through a benzene spacer to an isobutane tripod, with each arm of the,tripod ending in a methylthio group. Analogous compounds with one (1) and two (2) coordinating arms were also prepared.