tert-butyl 3-(4-bromophenoxy)propylcarbamate | 1052138-95-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: tert-butyl 3-(4-bromophenoxy)propylcarbamate
• 英文别名: [3-(4-bromophenoxy)propyl]carbamic acid tert-butyl ester；[3-(4-Bromo-phenoxy)-propyl]-carbamic acid tert-butyl ester；tert-butyl N-[3-(4-bromophenoxy)propyl]carbamate
• CAS: 1052138-95-0
• 化学式: C₁₄H₂₀BrNO₃
• 分子量: 330.222
• InChiKey: VIBGIDFDDHXBKH-UHFFFAOYSA-N

物化性质

• 沸点：
  426.4±25.0 °C(Predicted)
• 密度：
  1.282±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-(4-bromophenoxy)propylcarbamate 在 盐酸 、 三叔丁基膦 、 三乙胺 、 cesium fluoride 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 20.5h， 生成 ethyl 4-{4'-[3-({bis[(tert-butoxycarbonyl)amino]methylene}amino)propoxy]biphenyl-4-yl}-2-methyl-2-(methylsulfonyl)butanoate
  参考文献：
  名称：

  Potent Inhibitors of LpxC for the Treatment of Gram-Negative Infections

  摘要：

  In this paper, we present the synthesis and SAR as well as selectivity, pharmacokinetic, and infection model data for representative analogues of a novel series of potent antibacterial LpxC inhibitors represented by hydroxamic acid 1a.

  DOI：

  10.1021/jm2014748
• 作为产物：
  描述：

  4-溴苯酚 、 N-Boc-3-氨基丙基溴 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 5.0h， 以58%的产率得到tert-butyl 3-(4-bromophenoxy)propylcarbamate
  参考文献：
  名称：

  WO2008/106204

  摘要：

  公开号：

文献信息

• Self-assembly of cationic pyrene nanotubes
  作者：Yulan Chen、Bo Zhu、Yang Han、Zhishan Bo

  DOI：10.1039/c2jm15997j

  日期：——

  The controlled preparation of organic nanotubesviaself-assembly of polycyclic aromatics is a contemporary challenge for supramolecular science. Here, we show that the self-assembly of pyrene-containing cationic amphiphiles, 3-(4-(pyren-6-yl)phenoxy)propan-1-ammonium salts (PyPA-Cl, PyPA-Br, and PyPA-SO44), can form high aspect ratio nanotubes with a uniform diameter distribution. We have also demonstrated that the counter anions also play an important role in the self-assembling results. The self-assembly of pyrene-containing cationic amphiphilic molecules with monovalent anions (Cl−− and Br−−) forms exclusively uniform nanotubes; whereas the self-assembly of amphiphiles with bivalent counter anions (SO42−) forms exclusively high aspect ratio nanoribbons. Furthermore, we have found that the diameter of the PyPA-Brnanotubes is larger than that of the PyPA-Clnanotubes. The research results reported herein represent an important step towards the preparation of functional nanostructures with controlled 1D architectures.

  多环芳烃自组装有机纳米管的可控制备是当代超分子科学面临的一项挑战。在这里，我们展示了含芘阳离子双亲化合物--3-(4-(芘-6-基)苯氧基)丙-1-铵盐（PyPA-Cl、PyPA-Br 和 PyPA-SO44）--的自组装可以形成直径分布均匀的高纵横比纳米管。我们还证明，反阴离子在自组装结果中也起着重要作用。含芘阳离子两亲分子与一价阴离子（Cl-- 和 Br--）的自组装只能形成均匀的纳米管；而两亲分子与二价反阴离子（SO42-）的自组装只能形成高纵横比的纳米带。此外，我们还发现 PyPA-Brnanotubes 的直径大于 PyPA-Clnanotubes 的直径。本文所报告的研究成果是向制备具有可控一维结构的功能性纳米结构迈出的重要一步。
• 光致异构化合物及包含其的器件
  申请人：北京大学

  公开号：CN107011317B

  公开（公告）日：2020-03-20

  本发明实施例公开了一系列光致异构化合物、其制备方法及包含该化合物的器件，其中，光致异构化合物通过酰胺共价键连接于具有纳米间隙阵列的二维单层石墨烯的间隙形成光致异构化合物‑石墨烯分子结器件。当单个光致异构化合物被桥接于具有纳米间隙阵列的二维单层石墨烯的间隙时，它们具有可逆的光控开关功能和电控开关功能。由该方法所制备的分子开关器件，能够实现高的可逆性和好的重现性，光控开关循环可以超过104循环，电控开关循环可以达到约105以上。此外，本发明的可逆的分子开关器件在超过一年的时间里保持稳定。另外，利用本发明公开的一系列光致异构化合物可以构建出柔性非易失有机记忆晶体管器件及光响应有机晶体管器件。
• Vibration‐Assisted Charge Transport through Positively Charged Dimer Junctions
  作者：Xin Zhu、Boyu Wang、Wan Xiong、Shuyao Zhou、Kai Qu、Jing‐Tao Lü、Hongliang Chen、Chuancheng Jia、Xuefeng Guo

  DOI：10.1002/anie.202210939

  日期：2022.11.7

  A dimer single-molecule junction with positively charged units is constructed through host–guest interaction using graphene-based static molecular junctions. A transition mechanism from temperature-independent coherent tunneling to temperature-dependent incoherent transport is observed, which is caused by thermally-induced specific molecular vibration modes. The introduction of positive charge can

  使用基于石墨烯的静态分子结通过主客体相互作用构建具有带正电单元的二聚体单分子结。观察到从温度无关的相干隧道到温度相关的非相干传输的转变机制，这是由热诱导的特定分子振动模式引起的。正电荷的引入可以改善非相干传输过程。
• PHOTOISOMERIC COMPOUNDS AND DEVICE COMPRISING SAME
  申请人：Peking University

  公开号：EP3453705A1

  公开（公告）日：2019-03-13

  Disclosed are a series of photoisomeric compounds, preparation method therefor and device comprising the compounds, wherein a photoisomeric compound-grephene molecular junction device is formed by linking the photoisomeric compound to a gap of two-dimensional monolayer graphene having a nano-gap array via an amide covalent bond. When a single photoisomeric compound is bridged to the gap of the two-dimensional monolayer graphene having a nano-gap array, the devices have a reversible light-controlled switching function and a reversible electrically-controlled switching function. A molecular switch device prepared by the method can achieve a high reversibility and a good reproducibility. The number of light-controlled switching cycles can exceed 104, and the number of electrically-controlled switching cycles can reach about 105 or greater. Moreover, the above-mentioned reversible molecular switch device remains stable within a period of more than one year. In addition, flexible non-losable organic memory transistor devices and light-responsive organic transistor devices can be constructed using the above-mentioned series of photoisomeric compounds.

  本发明公开了一系列光异构体化合物、其制备方法以及包含这些化合物的器件，其中通过酰胺共价键将光异构体化合物与具有纳米间隙阵列的二维单层石墨烯的间隙连接，形成光异构体化合物-石墨烯分子结器件。当单个光异构体化合物与具有纳米间隙阵列的二维单层石墨烯的间隙桥接时，器件具有可逆的光控开关功能和可逆的电控开关功能。用该方法制备的分子开关器件可实现较高的可逆性和良好的可重复性。光控开关次数可超过 104 次，电控开关次数可达到约 105 次或更多。此外，上述可逆分子开关器件可在一年以上的时间内保持稳定。此外，利用上述系列光异构化合物还可构建柔性非可拆卸有机记忆晶体管器件和光响应有机晶体管器件。
• PHOTOISOMERIC COMPOUNDS AND DEVICE COMPRISING THE SAME
  申请人：PEKING UNIVERSITY

  公开号：US20200212328A1

  公开（公告）日：2020-07-02

  Disclosed are a series of photoisomeric compounds, preparation method therefor and device comprising the compounds. A photoisomeric compound-grephene molecular junction device is formed by linking the photoisomeric compound to a gap of two-dimensional monolayer graphene having a nano-gap array via an amide covalent bond. When a single photoisomeric compound is bridged to the gap of the two-dimensional monolayer graphene having a nano-gap array, the devices have a reversible light-controlled switching function and a reversible electrically-controlled switching function. A molecular switch device prepared by the method can achieve high reversibility and good reproducibility. The number of light-controlled switching cycles can exceed 10 4 , and the number of electrically-controlled switching cycles can reach about 10 5 or greater. The reversible molecular switch device remains stable within a period of more than one year. Flexible non-losable organic memory transistor devices and light-responsive organic transistor devices can be constructed using the series of photoisomeric compounds.