methyl 2-(3-methyl-2-oxoindolin-3-yl)acetate | 1415684-50-2

• 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: methyl 2-(3-methyl-2-oxoindolin-3-yl)acetate
• 英文别名: Methyl 2-(3-methyl-2-oxoindolin-3-yl)acetate；methyl 2-(3-methyl-2-oxo-1H-indol-3-yl)acetate
• CAS: 1415684-50-2
• 化学式: C₁₂H₁₃NO₃
• 分子量: 219.24
• InChiKey: PWIWAZZJTMQDEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 水 、 [双(三氟乙酰氧基)碘]苯 作用下， 以 乙腈 为溶剂， 反应 8.5h， 以9.5 mg的产率得到methyl 2-(3-methyl-2-oxoindolin-3-yl)acetate
  参考文献：
  名称：

  从对映异构体N-芳基羟吲哚衍生物的非对映选择性合成3,3-二取代的羟吲哚

  摘要：

  3,3-二取代的羟吲哚的非对映选择性合成已通过涉及具有C–N轴向手性的手性外消旋N-芳基羟吲哚的亲核加成，烷基化和环加成的转化进行了研究。这种方法的最显着的特点是高的非对映选择性（高达> 95：<5）时使用邻单取代ñ -芳基羟吲哚和容易地移除的p - （苄氧基）沿轴向扭曲酰胺芳基部分由一个温和双步骤顺序。

  DOI：

  10.1016/j.tetlet.2012.10.092

文献信息

• A Divergent Approach to the Diastereoselective Synthesis of 3,3-Disubstituted Oxindoles from Atropisomeric<i>N</i>-Aryl Oxindole Derivatives
  作者：Atsuo Nakazaki、Ayako Mori、Susumu Kobayashi、Toshio Nishikawa

  DOI：10.1002/asia.201601183

  日期：2016.11.22

  3,3‐Disubstituted oxindoles were divergently synthesized by diastereoselective transformations including nucleophilic addition, alkylation, and cycloaddition using common, axially chiral N‐aryl oxindoles. Notably, high diastereoselectivities (up to >95:5) were observed with ortho‐monosubstituted N‐aryl oxindoles to give various oxindole scaffolds, and facile removal of the p‐(benzyloxy)aryl moiety

  3,3-二取代的羟吲哚是通过非对映选择性转化（包括亲核加成，烷基化和环加成反应）使用常见的轴向手性N-芳基羟吲哚发散合成的。值得注意的是，高非对映选择性（高达> 95：5）与观察到邻位单取代的Ñ -芳基羟吲哚，得到各种羟吲哚骨架，并且容易除去的p - （苄基氧基）芳基部分在轴向扭转的酰胺是由轻度实现，两步序列。
• Palladium‐Catalyzed Cascade Carbonylative Synthesis of Functionalized Isoquinoline‐1,3‐diones and Oxindoles Using Dimethyl Carbonate as both Solvent and Reactant
  作者：D. Wen、Z. Shen、X. Qi、X.‐F. Wu

  DOI：10.1002/ejoc.202200971

  日期：2022.11.11

  environmental-benign compound prepared from CO2, shows diverse reactivity. In this communication, a palladium-catalyzed Intramolecular carbopalladation and Carbonylation has been explored for the synthesis of functionalized isoquinoline-1,3-diones and oxindoles by using DMC as both green solvent and reactant. Moreover, formic acid is employed as the CO source in this reaction.

  碳酸二甲酯 (DMC) 是一种由 CO 2制备的对环境无害的化合物，具有多种反应性。在本次交流中，已经探索了钯催化的分子内碳钯化和羰基化，以使用 DMC 作为绿色溶剂和反应物来合成功能化的异喹啉-1,3-二酮和羟吲哚。此外，甲酸用作该反应中的CO源。
• HPK1 INHIBITORS AND USES THEREOF
  申请人：QILU REGOR THERAPEUTICS INC.

  公开号：US20220389037A1

  公开（公告）日：2022-12-08

  Provided herein is a compound represented by structural formula (I-0) or formula (II): or a pharmaceutically acceptable salt or a stereoisomer thereof useful for treating diseases (such as cancer) that are treatable by inhibiting HPK1 activity.
• [EN] HPK1 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE HPK1 ET LEURS UTILISATIONS
  申请人：QILU REGOR THERAPEUTICS INC

  公开号：WO2021000935A1

  公开（公告）日：2021-01-07

  Provided herein is a compound represented by structural formula (I-0) or formula (II): or a pharmaceutically acceptable salt or a stereoisomer thereof useful for treating diseases (such as cancer) that are treatable by inhibiting HPK1 activity.
• Diastereoselective synthesis of 3,3-disubstituted oxindoles from atropisomeric N-aryl oxindole derivatives
  作者：Atsuo Nakazaki、Ayako Mori、Susumu Kobayashi、Toshio Nishikawa

  DOI：10.1016/j.tetlet.2012.10.092

  日期：2012.12

  Diastereoselective synthesis of 3,3-disubstituted oxindoles has been examined by transformations involving nucleophilic addition, alkylation, and cycloaddition using chiral racemic N-aryl oxindoles bearing C–N axial chirality. The most striking features of this approach are high diastereoselectivities (up to >95:<5) when using ortho-monosubstituted N-aryl oxindoles and easy removal of the p-(benzyloxy)aryl

  3,3-二取代的羟吲哚的非对映选择性合成已通过涉及具有C–N轴向手性的手性外消旋N-芳基羟吲哚的亲核加成，烷基化和环加成的转化进行了研究。这种方法的最显着的特点是高的非对映选择性（高达> 95：<5）时使用邻单取代ñ -芳基羟吲哚和容易地移除的p - （苄氧基）沿轴向扭曲酰胺芳基部分由一个温和双步骤顺序。