3-(5-methoxy-1-methyl-1H-indol-3-yl)propanoic acid | 93187-98-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-(5-methoxy-1-methyl-1H-indol-3-yl)propanoic acid
• 英文别名: 3-(5-Methoxy-1-methyl-indol-3-yl)-propionsaeure；3-(5-methoxy-1-methyl-indol-3-yl)-propionic acid；3-(5-Methoxy-1-methylindol-3-yl)propanoic acid；3-(5-methoxy-1-methylindol-3-yl)propanoic acid
• CAS: 93187-98-5
• 化学式: C₁₃H₁₅NO₃
• 分子量: 233.267
• InChiKey: BMUMYBPBUZQGNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  51.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(5-methoxy-1-methyl-1H-indol-3-yl)propanoic acid 在 phosphorus pentoxide 、 xylene 作用下， 生成 7-methoxy-4-methyl-1,4-dihydro-2H-cyclopent[b]indol-3-one
  参考文献：
  名称：

  Renson, Bulletin des Societes Chimiques Belges, 1959, vol. 68, p. 258,267

  摘要：

  DOI：
• 作为产物：
  描述：

  3-(5-甲氧基-1H-吲哚-3-基)-丙酸 在 1,4-二氧六环 、 氢化钾 作用下， 生成 3-(5-methoxy-1-methyl-1H-indol-3-yl)propanoic acid
  参考文献：
  名称：

  Renson, Bulletin des Societes Chimiques Belges, 1959, vol. 68, p. 258,267

  摘要：

  DOI：

文献信息

• Cation Triggered Domino Aza-Piancatelli Rearrangement/Friedel–Crafts Alkylation of Indole-Tethered Furfuyl Alcohols to Access Cycloocta[<i>b</i>]indole Core of Alkaloids
  作者：Nagarjuna Reddy Vonteddu、Pooja R. Solanke、Kiranmai Nayani、Srivari Chandrasekhar

  DOI：10.1021/acs.orglett.0c03155

  日期：2020.11.6

  A domino approach to bridged cycloocta[b]indolone through a cascade of aza-Piancatelli rearrangement/Friedel–Crafts alkylation is developed. This transformation has been realized by reaction of an indole-tethered 2-furylcarbinol and substituted aniline in the presence of a Lewis acid to initiate aza-Piancatelli rearrangement followed by an in situ intramolecular Friedel–Crafts alkylation to access bridged

  开发了一种通过aza-Piancatelli重排/ Friedel-Crafts烷基化级联反应桥接多环[ b ]吲哚酮的多米诺方法。这种转化是通过在路易斯酸存在下使吲哚链连接的2-呋喃基甲醇与取代的苯胺反应以引发aza-Piancatelli重排，然后进行原位分子内Friedel-Crafts烷基化反应以在一个罐中获得桥联的四环骨架而实现的。
• [EN] HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS<br/>[FR] BIOCATALYSEURS DE NITRATION AUTO-SUFFISANTS HAUTEMENT ACTIFS
  申请人：UNIV FLORIDA

  公开号：WO2018081456A1

  公开（公告）日：2018-05-03

  The disclosure relates to the field of fusion proteins. In some aspects, the disclosure relates to artificial fusion proteins comprising cytochrome P450 enzymes linked to reductase enzymes and uses thereof. In some aspects, the disclosure relates to compounds produced by artificial cytochrome P450 enzymes.

  该披露涉及融合蛋白的领域。在某些方面，该披露涉及人工融合蛋白，其中包括与还原酶酶相连的细胞色素P450酶，并其用途。在某些方面，该披露涉及由人工细胞色素P450酶产生的化合物。
• Artificial self-sufficient cytochrome P450s
  申请人：University of Florida Research Foundation, Incorporated

  公开号：US10550079B2

  公开（公告）日：2020-02-04

  The disclosure relates to the field of fusion proteins. In some aspects, the invention to artificial fusion proteins comprising cytochrome P450 enzymes linked to reductase enzymes and uses thereof. In some aspects, the disclosures relates to compounds produced by artificial cytochrome P450 enzymes.

  本发明涉及融合蛋白领域。在某些方面，本发明涉及由与还原酶连接的细胞色素 P450 酶组成的人工融合蛋白及其用途。在某些方面，本发明涉及由人工细胞色素 P450 酶产生的化合物。
• Highly active self-sufficient nitration biocatalysts
  申请人：University of Florida Research Foundation, Incorporated

  公开号：US11078467B2

  公开（公告）日：2021-08-03

  The disclosure relates to the field of fusion proteins. In some aspects, the disclosure relates to artificial fusion proteins comprising cytochrome P450 enzymes linked to reductase enzymes and uses thereof. In some aspects, the disclosure relates to corn-pounds produced by artificial cytochrome P450 enzymes.

  本公开涉及融合蛋白领域。在某些方面，本发明涉及由与还原酶连接的细胞色素 P450 酶组成的人工融合蛋白及其用途。在某些方面，本公开涉及由人工细胞色素P450酶生产的玉米蛋白。
• Diradical Polar Reactivity Induced by Electricity‐Mediated Ground State Triplet Nitrenium Species
  作者：Nakshatra Banerjee、Apoorv Kushwaha、Shiv Dutt、Debarshi Saha、T. J. Dhilip Kumar、Prabal Banerjee

  DOI：10.1002/adsc.202301494

  日期：2024.7.2

  reactive intermediates to possess a ground state triplet character. Excited state triplet intermediates are generally accessed by means of photon transfer from a tunable light source or by using any triplet sensitizers. N‐acyl N‐alkoxy nitreniums are an important class of reactive intermediates in the synthetic organic community due to their prolonged lifetime and ground‐state singlet character. Herein, we

  具有基态三重态特征的反应中间体极为罕见。激发态三重态中间体通常通过可调谐光源的光子转移或使用任何三重态敏化剂来获得。 N-酰基-N-烷氧基氮鎓由于其较长的寿命和基态单线态特征，是有机合成领域中一类重要的反应中间体。在此，我们报告了一种无外部氧化剂和有毒催化剂的温和电化学方案来获取氮反应中间体。机制途径的实验结果表明，理论上预测的三重态反应中间体在能量上有利于单重态途径。