tert-butyl (3-methoxyphenylethyl)carbamate | 1190890-94-8

• 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-methoxyphenylethyl)carbamate
• 英文别名: tert-butyl-N-[(3-methoxyphenyl)ethyl]carbamate；tert-butyl (3-methoxyphenethyl)carbamate；tert-butyl [2-(3-methoxyphenyl)ethyl]carbamate；tert-butyl N-[2-(3-methoxyphenyl)ethyl]carbamate
• CAS: 1190890-94-8
• 化学式: C₁₄H₂₁NO₃
• 分子量: 251.326
• InChiKey: OMJQSQBOMLKELF-UHFFFAOYSA-N

物化性质

• 沸点：
  377.2±25.0 °C(Predicted)
• 密度：
  1.042±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  6
• 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-methoxyphenylethyl)carbamate 在 2-氯吡啶 、 三氟甲磺酸酐 、 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 20.33h， 生成 6-甲氧基-3,4-二氢-1(2H)-异喹啉
  参考文献：
  名称：

  N-Boc-(β-芳基乙基)氨基甲酸酯通过异氰酸酯中间体合成3,4-二氢异喹啉-1-酮

  摘要：

  描述了从 N-Boc 保护的 (β-芳基乙基) 氨基甲酸酯区域选择性合成异喹啉-1-酮和相关稠环杂环的温和反应条件。涉及使用 Tf2O 和 2-氯吡啶和异氰酸酯的反应可能是关键中间体。通过使用路易斯酸添加剂，如 BF3·Et2O，该方法扩展到带有较少亲核芳基部分的底物，以增强异氰酸酯中间体的 Friedel-Crafts 型环化。该方法允许以良好的产率和高区域选择性合成各种取代的异喹啉-1-酮、β-咔啉、噻吩稠环系统和四氢苯并氮杂-1-酮。

  DOI：

  10.1002/ejoc.201201408
• 作为产物：
  描述：

  3-甲氧基苯乙胺 生成 tert-butyl (3-methoxyphenylethyl)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

• Synthesis of Functionalized Indolines and Dihydrobenzofurans by Iron and Copper Catalyzed Aryl C–N and C–O Bond Formation
  作者：Martyn C. Henry、Hans Martin Senn、Andrew Sutherland

  DOI：10.1021/acs.joc.8b02888

  日期：2019.1.4

  triflimide-catalyzed iodination, followed by a copper(I)-catalyzed intramolecular N- or O-arylation step leading to indolines, dihydrobenzofurans, and six-membered analogues. The general applicability and functional group tolerance of this method were exemplified by the total synthesis of the neolignan natural product, (+)-obtusafuran. DFT calculations using Fukui functions were also performed, providing a molecular

  描述了一种简单有效的一锅两步分子内芳基C–N和C–O键形成过程，该过程可利用铁和铜催化制备各种苯并稠合的杂环骨架。对活化的芳基环进行高度区域选择性，三氟甲磺酸铁（III）催化的碘化，然后进行铜（I）催化的分子内N-或O-芳基化步骤，生成二氢吲哚，二氢苯并呋喃和六元类似物。该方法的一般适用性和官能团耐受性由新木脂素天然产物（+）-奥布他呋喃的全合成例示。还进行了使用Fukui函数的DFT计算，从而为高度区域选择性的芳烃碘化过程提供了分子轨道原理。
• 2-氨基嘧啶衍生物作为激酶抑制剂及其制备和应用
  申请人：江苏威凯尔医药科技有限公司

  公开号：CN116332910A

  公开（公告）日：2023-06-27

  本发明涉及具有式（I）的2‑氨基嘧啶衍生物、含有式（I）化合物的药物组合物及所述化合物在制备预防或治疗激酶相关疾病药物的用途，特别是用于预防或治疗与蛋白质酪氨酸激酶相关癌症的用途。其中式（I）中的各取代基与说明书中的定义相同。
• QSAR guided synthesis of simplified antiplasmodial analogs of naphthylisoquinoline alkaloids
  作者：Gerhard Bringmann、Sebastian K. Bischof、Steffen Müller、Tanja Gulder、Christian Winter、August Stich、Heidrun Moll、Marcel Kaiser、Reto Brun、Jan Dreher、Knut Baumann

  DOI：10.1016/j.ejmech.2010.08.062

  日期：2010.11

  Naphthylisoquinoline alkaloids have attracted considerable interest because of their intriguing structure, their unique biosynthetic origin, and their biological activities against several pathogens causing tropical diseases. Their promising pharmacologic properties make them suitable lead structures for new agents, in particular against malaria. Since these natural products are not easy to isolate in sufficient quantities or to synthesize stereoselectively, quantitative structure activity relationship studies were accomplished to find new antiplasmodial analogs that are structurally related to the naturally occurring naphthylisoquinoline alkaloids, but more easily accessible, more active against Plasmodium falciparum, and, last but not least, less toxic. We report on the synthesis of several simplified compounds by a Suzuki coupling between the naphthalene and the isoquinoline moieties and on their activities against different pathogens causing infectious diseases. Some structures were found to exhibit excellent and selective activities against P. falciparum in vitro. (C) 2010 Elsevier Masson SAS. All rights reserved.
• PYRIDINYL, PYRIMIDINYL AND PYRAZINYL AMIDES AS POTASSIUM CHANNEL OPENERS
  申请人：Bristol-Myers Squibb Company

  公开号：EP1581498A2

  公开（公告）日：2005-10-05
• [EN] PYRIDINYL, PYRIMIDINYL AND PYRAZINYL AMIDES AS POTASSIUM CHANNEL OPENERS<br/>[FR] AMIDES DE PYRIDINYLE, PYRIMIDINYLE ET PYRAZINYLE UTILISES EN TANT QU'AGENTS D'OUVERTURE DES CANAUX POTASSIQUES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2004047739A2

  公开（公告）日：2004-06-10

  The present invention provides novel heterocyclic amides and related derivatives having the general Formula (I) wherein R1, R2, R3, R4, R5, R6, A, B and Z are as defined in the specification, or a nontoxic pharmaceutically acceptable salt, solvate or hydrate thereof which are openers or activators of KCNQ potassium channels. The present invention also provides pharmaceutical compositions comprising said heterocyclic amides and to the method of treatment of disorders sensitive to KCNQ potassium channel opening activity such as migraine or a migraine attack, bipolar disorders, epilepsy, acute and chronic pain and anxiety.