methyl 2,2-bis(1-methyl-1H-indol-3-yl)acetate | 138197-76-9

• 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 2,2-bis(1-methyl-1H-indol-3-yl)acetate
• 英文别名: Methyl 2,2-bis(1-methylindol-3-yl)acetate
• CAS: 138197-76-9
• 化学式: C₂₁H₂₀N₂O₂
• 分子量: 332.402
• InChiKey: RCCSYOIMVKFNGM-UHFFFAOYSA-N

物化性质

• 沸点：
  523.7±40.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  36.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-甲基吲哚 、 methyl 2-(4-methylphenylamino)acetate 在 tris-(4-bromophenyl)aminium hexachloroantimonate 作用下， 以 二氯甲烷 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 以90%的产率得到methyl 2,2-bis(1-methyl-1H-indol-3-yl)acetate
  参考文献：
  名称：

  三芳基铵盐引发的甘氨酸衍生物与吲哚的需氧双弗里德-工艺反应

  摘要：

  已开发出一种新型且高效的，稳定的自由基阳离子三芳基铵盐催化的甘氨酸衍生物与吲哚的需氧双Friedel-Crafts烷基化反应。该反应在温和条件下不存在任何其他添加剂的条件下进行，仅需要空气气氛（或氧气，1个大气压）作为助氧化剂。

  DOI：

  10.1002/adsc.201300276

文献信息

• Triarylaminium Salt-Initiated Aerobic Double Friedel-Crafts Reaction of Glycine Derivatives with Indoles
  作者：Congde Huo、Cheng Wang、Chougu Sun、Xiaodong Jia、Xicun Wang、Wenju Chang、Mingxia Wu

  DOI：10.1002/adsc.201300276

  日期：2013.7.8

  A novel and efficient stable radical cation triarylaminium salt‐catalyzed aerobic double Friedel–Crafts alkylation reaction of glycine derivatives with indoles has been developed. The reaction was performed in the absence of any other additives under mild conditions and only requires an air atmosphere (or oxygen, 1 atm) as co‐oxidant.

  已开发出一种新型且高效的，稳定的自由基阳离子三芳基铵盐催化的甘氨酸衍生物与吲哚的需氧双Friedel-Crafts烷基化反应。该反应在温和条件下不存在任何其他添加剂的条件下进行，仅需要空气气氛（或氧气，1个大气压）作为助氧化剂。
• Self-emulsifying formulations of DIM-related indoles
  申请人：BioResponse, L.L.C.

  公开号：US10441569B2

  公开（公告）日：2019-10-15

  Disclosed herein are self-emulsifying compositions and formulations of Diindolylmethane (“DIM”) and certain derivatives of DIM, their uses and methods of making. In particular, the disclosed compositions comprise a DIM-related indole as an active agent and a carrier, wherein the carrier comprises a solvent, one or more surfactants with an HLB of greater than 7, and one or more co-surfactants with an HLB equal to or less than 7. In certain aspects of the invention, the compositions disclosed herein show improved bioavailability.

  本文公开了二吲哚甲烷（"DIM"）和某些 DIM 衍生物的自乳化组合物和制剂及其用途和制造方法。特别是，所公开的组合物包括作为活性剂的 DIM 相关吲哚和载体，其中载体包括溶剂、一种或多种 HLB 大于 7 的表面活性剂以及一种或多种 HLB 等于或小于 7 的辅助表面活性剂。 在本发明的某些方面，所公开的组合物显示出更好的生物利用度。
• Bis-trimethylsilylacetamide: A reagent for the control of Friedel-Crafts alkylation reactions using methyl chloromethoxyacetate
  作者：Martyn J. Earle、Robin A. Fairhurst、Harry Heaney

  DOI：10.1016/0040-4039(91)80781-z

  日期：1991.10

  The Friedel-Crafts alkylation reactions of electron rich aromatic compounds using methyl alpha-chloro-alpha-methoxyacetate and Lewis acids leads predominantly to the formation of diarylacetic acid derivatives in which the second stage of the sequence is favoured by the presence of hydrogen chloride generated in the first step; effective control can be achieved in a number of cases by the addition of bis-trimethylsilylacetamide.
• SELF-EMULSIFYING FORMULATIONS OF DIM-RELATED INDOLES
  申请人：BioResponse, L.L.C.

  公开号：US20170014382A1

  公开（公告）日：2017-01-19

  Disclosed herein are self-emulsifying compositions and formulations of Diindolylmethane (“DIM”) and certain derivatives of DIM, their uses and methods of making. In particular, the disclosed compositions comprise a DIM-related indole as an active agent and a carrier, wherein the carrier comprises a solvent, one or more surfactants with an HLB of greater than 7, and one or more co-surfactants with an HLB equal to or less than 7. In certain aspects of the invention, the compositions disclosed herein show improved bioavailability.
• US9918965B2
  申请人：——

  公开号：US9918965B2

  公开（公告）日：2018-03-20