tert-butyl (2-(thiophen-2-yl)ethyl)carbamate | 381666-12-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: tert-butyl (2-(thiophen-2-yl)ethyl)carbamate
• 英文别名: N-Boc-2-(2-thienyl)ethanamine；tert-butyl N-(2-thiophen-2-ylethyl)carbamate
• CAS: 381666-12-2
• 化学式: C₁₁H₁₇NO₂S
• 分子量: 227.327
• InChiKey: POWHBKBADZKVHY-UHFFFAOYSA-N

物化性质

• 沸点：
  340.4±25.0 °C(Predicted)
• 密度：
  1.100±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  66.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl (2-(thiophen-2-yl)ethyl)carbamate 在 盐酸 、 N-氯代丁二酰亚胺 、 potassium carbonate 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 N-[2-(5-chlorothiophen-2-yl)ethyl]-N'-(2-pyridyl)thiourea
  参考文献：
  名称：

  Regiospecific Synthesis of 5‐Halo‐substituted Thiophene Pyridyl Thiourea Compounds as Non‐nucleoside Inhibitors of HIV‐1 Reverse Transcriptase

  摘要：

  The regiospecific synthesis of 5-halothiophenethylamines and halosubstituted phenylethyl thioureas was accomplished with an overall yield of 45 - 60%. Condensation of t-boc protected 2-thiophenethylamine with N-halo succinamide in dimethylformamide furnished the desired halo-substituted thiophenethylamines. These thiophenethyl amines were further converted into biologically active thiourea compounds using thiocarbonyldiimidazole chemistry. Several of the halo-substituted thiophene pyridyl thiourea compounds inhibited HIV-1 reverse transcriptase (RT) at nanomolar concentrations.

  DOI：

  10.1081/scc-120039499
• 作为产物：
  描述：

  噻吩乙胺 生成 tert-butyl (2-(thiophen-2-yl)ethyl)carbamate
  参考文献：
  名称：

  THERAPEUTIC AGENT FOR CEREBRAL INFARCTION

  摘要：

  这项发明提供了一种用于缺血性中风的治疗药物。该治疗药物具有如下式（I）的化学式，其中每个符号如本文所定义，或其药理学上可接受的盐，或其溶剂化物，作为活性成分。

  公开号：

  US20120196824A1

文献信息

• Self-assembly and semiconductivity of an oligothiophene supergelator
  作者：Pampa Pratihar、Suhrit Ghosh、Vladimir Stepanenko、Sameer Patwardhan、Ferdinand C Grozema、Laurens D A Siebbeles、Frank Würthner

  DOI：10.3762/bjoc.6.122

  日期：——

  A bis(trialkoxybenzamide)-functionalized quaterthiophene derivative was synthesized and its self-assembly properties in solution were studied. In non-polar solvents such as cyclohexane, this quaterthiophene π-system formed fibril aggregates with an H-type molecular arrangement due to synergistic effect of hydrogen bonding and π-stacking. The self-assembled fibres were found to gelate numerous organic solvents of diverse polarity. The charge transport ability of such elongated fibres of quaterthiophene π-system was explored by the pulse radiolysis time resolved microwave conductivity (PR-TRMC) technique and moderate mobility values were obtained. Furthermore, initial AFM and UV-vis spectroscopic studies of a mixture of our electron-rich quaterthiophene derivative with the electron acceptor [6,6]-phenyl-C₆₁-butyric acid methyl ester (PCBM) revealed a nanoscale segregated assembly of the individual building blocks in the blend.

  合成了一种双（三烷氧基苯甲酰胺）官能化的四噻吩衍生物，并研究了其在溶液中的自组装性质。在非极性溶剂如环己烷中，这种四噻吩π-系统形成了纤维聚集体，其分子排列呈H型，这是由于氢键和π-堆积的协同作用。发现这种自组装纤维能够凝胶化多种极性的有机溶剂。通过脉冲辐射时间分辨微波电导率（PR-TRMC）技术探索了四噻吩π-系统这种延展纤维的电荷传输能力，并获得了中等迁移率值。此外，对我们的富电子四噻吩衍生物与电子受体[6,6]-苯基-C61-丁酸甲酯（PCBM）的混合物进行了初步的原子力显微镜（AFM）和紫外-可见光谱研究，揭示了混合物中个体组分的纳米尺度分离组装。
• THIOPHENE MONOAMINE BASED ORGANIC-INORGANIC HYBRID PEROVSKITES
  申请人：Purdue Research Foundation

  公开号：US20200062740A1

  公开（公告）日：2020-02-27

  The present disclosure relates to novel thiophene monoamine based organic-inorganic hybrid perovskites, and the method of making and using the novel organic-inorganic hybrid perovskites.

  本公开涉及新型噻吩单胺基有机-无机混合钙钛矿材料，以及制备和使用这种新型有机-无机混合钙钛矿材料的方法。
• Direct-Bandgap 2D Silver–Bismuth Iodide Double Perovskite: The Structure-Directing Influence of an Oligothiophene Spacer Cation
  作者：Manoj K. Jana、Svenja M. Janke、David J. Dirkes、Seyitliyev Dovletgeldi、Chi Liu、Xixi Qin、Kenan Gundogdu、Wei You、Volker Blum、David B. Mitzi

  DOI：10.1021/jacs.9b02909

  日期：2019.5.15

  lead-free 2D HOIPs, double perovskites (DPs) with mixed-valent dual metals are attractive. Translation of mixed-metal DPs to iodides, with their prospectively lower bandgaps, represents an important target for semiconducting halide perovskites, but has so far proven inaccessible using traditional spacer cations due to either intrinsic instability or formation of competing non-perovskite phases. Here, we

  三维（3D）杂化有机-无机卤化铅钙钛矿（HOIP）具有卓越的太阳能转换光电特性，但长期存在环境稳定性和铅毒性问题。由于优异的化学稳定性、结构多样性和更广泛的特性可调性，相关的二维 (2D) 类似物越来越受到关注。对于无铅 2D HOIP，具有混合价双金属的双钙钛矿 (DP) 具有吸引力。将混合金属 DP 转化为碘化物，具有较低的带隙，代表了半导体卤化物钙钛矿的重要目标，但迄今为止，由于固有的不稳定性或竞争性非钙钛矿相的形成，使用传统的间隔阳离子无法实现。这里，我们展示了直接带隙为 2.00(2) eV 的 2D Ag-Bi 碘化物 DP 的第一个例子，由一层双功能化的低聚噻吩阳离子，即（双-氨基乙基）联噻吩，通过芳香相互作用的集体影响，氢键、双齿束缚和结构刚性。新材料的混合密度泛函理论计算揭示了与实验值一致的直接带隙，以及主要源自 Ag-d/Ip（价带）和 Bi-p/Ip（导带）状态的相对
• A selenophene-containing conjugated organic ligand for two-dimensional halide perovskites
  作者：Zitang Wei、Kang Wang、Wenchao Zhao、Yao Gao、Qixuan Hu、Ke Chen、Letian Dou

  DOI：10.1039/d1cc04679a

  日期：——

  A selenophene-containing conjugated organic ligand was synthesized and incorporated into a Sn(ii)-based two-dimensional perovskite. FET and LED devices based on these 2D perovskite thin films exhibit high performance and enhanced operational stability.

  一种含硒吡咯烯的共轭有机配体被合成并纳入到基于Sn(II)的二维钙钛矿中。基于这些二维钙钛矿薄膜的场效应晶体管和发光二极管器件表现出高性能和增强的工作稳定性。
• Two-Dimensional Halide Perovskite Materials
  申请人：Purdue Research Foundation

  公开号：US20210343948A1

  公开（公告）日：2021-11-04

  The present disclosure relates to novel two-dimensional halide perovskite materials, and the method of making and using the two-dimensional halide perovskite materials.

  本公开涉及新型二维卤化物钙钛矿材料，以及制备和使用这些二维卤化物钙钛矿材料的方法。