3-{[(e)-(4-Methoxyphenyl)methylidene]amino}propan-1-ol | 5433-10-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-{[(e)-(4-Methoxyphenyl)methylidene]amino}propan-1-ol
• 英文别名: 3-[(4-methoxyphenyl)methylideneamino]propan-1-ol
• CAS: 5433-10-3
• 化学式: C₁₁H₁₅NO₂
• 分子量: 193.246
• InChiKey: LUMGWGPAMVKWGR-UHFFFAOYSA-N

物化性质

• 沸点：
  333.0±27.0 °C(Predicted)
• 密度：
  1.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  41.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2925290090

反应信息

• 作为反应物：
  描述：

  3-{[(e)-(4-Methoxyphenyl)methylidene]amino}propan-1-ol 在 sodium tetrahydroborate 作用下， 生成 3-[(4-甲氧基苄基)氨基]-1-丙醇
  参考文献：
  名称：

  [EN] 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES
  [FR] DÉRIVÉS DE 3-[1,4] OXAZÉPANE-4-PYRIMIDONE

  摘要：

  化合物的化学式为（I）或其药学上可接受的盐：其中Z代表氮原子，C-F或类似物；R1代表C1-C3烷基基团；Y代表氧原子或N-R7；R2、R3、R4、R5、R6和R7分别独立地代表氢原子，C1-C6烷基基团，或由化学式（II）表示的基团：该化合物用于预防和/或治疗由tau蛋白激酶1过度活化引起的疾病，如神经退行性疾病（例如阿尔茨海默病）。

  公开号：

  WO2010114179A1
• 作为产物：
  描述：

  4-甲氧基苯甲醛 、 3-氨基-1-丙醇 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 3-{[(e)-(4-Methoxyphenyl)methylidene]amino}propan-1-ol
  参考文献：
  名称：

  [EN] 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES
  [FR] DÉRIVÉS DE 3-[1,4] OXAZÉPANE-4-PYRIMIDONE

  摘要：

  化合物的化学式为（I）或其药学上可接受的盐：其中Z代表氮原子，C-F或类似物；R1代表C1-C3烷基基团；Y代表氧原子或N-R7；R2、R3、R4、R5、R6和R7分别独立地代表氢原子，C1-C6烷基基团，或由化学式（II）表示的基团：该化合物用于预防和/或治疗由tau蛋白激酶1过度活化引起的疾病，如神经退行性疾病（例如阿尔茨海默病）。

  公开号：

  WO2010114179A1

文献信息

• Olefin Amine (OLA) Reagents for the Synthesis of Bridged Bicyclic and Spirocyclic Saturated N-Heterocycles by Catalytic Hydrogen Atom Transfer (HAT) Reactions
  作者：Ya-Yi Wang、Jeffrey W. Bode

  DOI：10.1021/jacs.9b05074

  日期：2019.6.19

  spiro-, and fused rings. The OLA reagents are easily prepared and allow the synthesis of complex molecular frameworks under operationally simple conditions that tolerate a wide array of functional groups. Investigations into the Mn or Fe promoted reaction pathway support a metal hydride hydrogen atom transfer (MH-HAT) to generate a C-centered radical that undergoes addition to an unactivated imine

  螺旋和桥连双环结构需要富含 sp3 的框架，这些框架提供独特的理化性质和精确定位的取代基。为了以交叉偶联方式快速访问此类分子，我们描述了烯烃胺 (OLA) 试剂，用于将醛和酮转化为所有三种拓扑类型的双环 N-杂环：桥环、螺环和稠环。OLA 试剂很容易制备，并允许在操作简单的条件下合成复杂的分子框架，可耐受多种官能团。对 Mn 或 Fe 促进的反应途径的研究支持金属氢化物氢原子转移 (MH-HAT) 以生成 C 中心自由基，该自由基与未活化的亚胺加成，导致 N 中心自由基。
• Nano-tube TiO2 as a new catalyst for eco-friendly synthesis of imines in sunlight
  作者：Mona Hosseini-Sarvari

  DOI：10.1016/j.cclet.2010.11.017

  日期：2011.5

  Nanomaterials are considered as suitable heterogeneous catalysts for many organic reactions. Herein nano-tube TiO2 has been reported as a heterogeneous catalyst, for synthesis of imines in sunlight at room temperature under solvent-free conditions. The condensation of less electrophilic carbonyl compounds with poorly nucleophilic amines was afforded imines in excellent yields. (c) 2010 Mona Hosseini-Sarvari. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.
• Synthesis and antimalarial activity of new nanocopolymer β-lactams and molecular docking study of their monomers
  作者：Edris Ebrahimi、Aliasghar Jarrahpour、Nahid Heidari、Véronique Sinou、Christine Latour、Jean M. Brunel、Amin R. Zolghadr、Edward Turos

  DOI：10.1007/s00044-015-1477-7

  日期：2016.2

  This report describes the preparation of some new beta-lactam nanocopolymers. These nanoparticles are synthesized in water by emulsion polymerization of an acrylate beta-lactam pre-dissolved in a mixture of co-monomers in the presence of sodium dodecyl sulfate as a surfactant and potassium persulfate as a radical initiator. Dynamic light scattering analysis and electron microscopy images of these emulsions show that the nanoparticles are approximately 30-70 nm in diameter. These compounds have been evaluated for their antimalarial activities against chloroquine-resistant Plasmodium faliparum K1 strain demonstrating IC50 varying from 14 to 50 A mu M. The interactions between these beta-lactam nanocopolymers and the P. falciparum single-stranded DNA-binding proteins have been studied by molecular docking calculations.
• [EN] 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES<br/>[FR] DÉRIVÉS DE 3-[1,4] OXAZÉPANE-4-PYRIMIDONE
  申请人：MITSUBISHI TANABE PHARMA CORP

  公开号：WO2010114179A1

  公开（公告）日：2010-10-07

  A compound represented by the formula (I) or a pharmaceutically acceptable salt thereof: wherein Z represents nitrogen atom, C-F or the like; R1 represents a C1-C3 alkyl group; Y represents oxygen atom or N-R7; R2, R3, R4, R5, R6 and R7 each independently represents hydrogen atom, a C1-C6 alkyl group, or a group represented by the formula (II): which is used for preventive and/or therapeutic treatment of a disease caused by tau protein kinase 1 hyperactivity such as a neurodegenerative diseases (e.g. Alzheimer disease).

  化合物的化学式为（I）或其药学上可接受的盐：其中Z代表氮原子，C-F或类似物；R1代表C1-C3烷基基团；Y代表氧原子或N-R7；R2、R3、R4、R5、R6和R7分别独立地代表氢原子，C1-C6烷基基团，或由化学式（II）表示的基团：该化合物用于预防和/或治疗由tau蛋白激酶1过度活化引起的疾病，如神经退行性疾病（例如阿尔茨海默病）。