phenyl 1H-indole-3-carboxylate

• 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: phenyl 1H-indole-3-carboxylate
• 化学式: C₁₅H₁₁NO₂
• 分子量: 237.258
• InChiKey: YERJAZOWDDXOLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  42.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  吲哚-3-甲酸甲酯 在 氯化亚砜 、 potassium hydroxide 作用下， 以 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 180.0h， 生成 phenyl 1H-indole-3-carboxylate
  参考文献：
  名称：

  Development and Profiling of Inverse Agonist Tools for the Neuroprotective Transcription Factor Nurr1

  摘要：

  DOI：

  10.1021/acs.jmedchem.1c01077

文献信息

• Access to 2-Arylindoles via Decarboxylative C−C Coupling in Aqueous Medium and to Heteroaryl Carboxylates under Base-Free Conditions using Diaryliodonium Salts
  作者：Velladurai Arun、Meenakshi Pilania、Dalip Kumar

  DOI：10.1002/asia.201601290

  日期：2016.12.6

  accessible heteroaromatic carboxylic acids and diaryliodonium salts were successfully employed to construct valuable 2‐arylindoles and heteroaryl carboxylates in a regioselective fashion. C2‐arylated indoles were produced using a Pd‐catalyzed decarboxylative strategy in water without any base, oxidant, or ligand. Heteroaryl carboxylates were prepared under metal and base‐free conditions. This protocol was

  容易获得的杂芳族羧酸和二芳基碘鎓盐已成功用于以区域选择性的方式构建有价值的2-芳基吲哚和杂芳基羧酸盐。C2芳基吲哚是在水中没有任何碱，氧化剂或配体的情况下使用Pd催化的脱羧策略生产的。杂芳基羧酸盐是在无金属和无碱条件下制备的。该方案已成功用于合成细胞周期蛋白依赖性激酶（CDK）抑制剂Paullone。
• Pd-Catalyzed C–H Carbonylation of (Hetero)arenes with Formates and Intramolecular Dehydrogenative Coupling: A Shortcut to Indolo[3,2-<i>c</i>]coumarins
  作者：Jie Wu、Jingbo Lan、Siyuan Guo、Jingsong You

  DOI：10.1021/ol502749b

  日期：2014.11.21

  An efficient protocol for the synthesis of (hetero)aryl carboxylic esters has been achieved by Pd-catalyzed CH carbonylation of (hetero)arenes with aryl formates. A relatively wide range of functional groups can be tolerated in this transformation, and the corresponding esters are obtained in good yields. On this basis, an intramolecular oxidative CH/CH coupling has been developed to prepare indolo[3,2-c]coumarins.
• Development and Profiling of Inverse Agonist Tools for the Neuroprotective Transcription Factor Nurr1
  作者：Daniel Zaienne、Sabine Willems、Simone Schierle、Jan Heering、Daniel Merk

  DOI：10.1021/acs.jmedchem.1c01077

  日期：2021.10.28