3-(3-Oxo-3-pyrrolidin-1-yl-prop-1-ynyl)-indazole-1-carboxylic acid tert-butyl ester | 459133-70-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 3-(3-Oxo-3-pyrrolidin-1-yl-prop-1-ynyl)-indazole-1-carboxylic acid tert-butyl ester
• 英文别名: Tert-butyl 3-(3-oxo-3-pyrrolidin-1-ylprop-1-ynyl)indazole-1-carboxylate；tert-butyl 3-(3-oxo-3-pyrrolidin-1-ylprop-1-ynyl)indazole-1-carboxylate
• CAS: 459133-70-1
• 化学式: C₁₉H₂₁N₃O₃
• 分子量: 339.394
• InChiKey: ZGHZRGDKNHPEAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  64.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(3-Oxo-3-pyrrolidin-1-yl-prop-1-ynyl)-indazole-1-carboxylic acid tert-butyl ester 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 3-(1H-Indazol-3-yl)-1-pyrrolidin-1-yl-propynone
  参考文献：
  名称：

  Sonogashira cross-coupling reaction of 3-iodoindazoles with various terminal alkynes: a mild and flexible strategy to design 2-aza tryptamines

  摘要：

  This paper describes a Sonogashira-type cross-coupling reaction of 3-iodoindazoles various terminal alkynes as a general route to 3-alkynylindazoles. The Coupling reaction is illustrated by the preparation of ne indazolylpropiolic or propargylic derivatives. Scope and limitation of the method are outlined. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00393-3
• 作为产物：
  描述：

  3-碘吲唑 在 4-二甲氨基吡啶 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 TEA 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 3.0h， 生成 3-(3-Oxo-3-pyrrolidin-1-yl-prop-1-ynyl)-indazole-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Sonogashira cross-coupling reaction of 3-iodoindazoles with various terminal alkynes: a mild and flexible strategy to design 2-aza tryptamines

  摘要：

  This paper describes a Sonogashira-type cross-coupling reaction of 3-iodoindazoles various terminal alkynes as a general route to 3-alkynylindazoles. The Coupling reaction is illustrated by the preparation of ne indazolylpropiolic or propargylic derivatives. Scope and limitation of the method are outlined. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00393-3

文献信息

• Sonogashira cross-coupling reaction of 3-iodoindazoles with various terminal alkynes: a mild and flexible strategy to design 2-aza tryptamines
  作者：Anca Arnautu、Valérie Collot、Javier Calvo Ros、Carole Alayrac、Bernhard Witulski、Sylvain Rault

  DOI：10.1016/s0040-4039(02)00393-3

  日期：2002.4

  This paper describes a Sonogashira-type cross-coupling reaction of 3-iodoindazoles various terminal alkynes as a general route to 3-alkynylindazoles. The Coupling reaction is illustrated by the preparation of ne indazolylpropiolic or propargylic derivatives. Scope and limitation of the method are outlined. (C) 2002 Elsevier Science Ltd. All rights reserved.