ethyl 2-formyl-1-methyl-1H-indole-3-carboxylate | 1027802-55-6

• 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: ethyl 2-formyl-1-methyl-1H-indole-3-carboxylate
• 英文别名: Ethyl 2-formyl-1-methylindole-3-carboxylate；ethyl 2-formyl-1-methylindole-3-carboxylate
• CAS: 1027802-55-6
• 化学式: C₁₃H₁₃NO₃
• 分子量: 231.251
• InChiKey: MZNWGUYAHJMPRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  48.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 2-formyl-1-methyl-1H-indole-3-carboxylate 、 苄胺 在 sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 反应 20.0h， 以80%的产率得到ethyl 2-(benzylamino)methyl-1H-indole-3-carboxylate
  参考文献：
  名称：

  Selective reduction and functionalization of diethyl 1-alkyl-1H-indole-2,3-dicarboxylates

  摘要：

  A convenient and highly selective reduction of easily accessible indole-2,3-dicarboxylates is described. Ten different 1-alkyl-2-formyl-1H-indole-3-carboxylates are obtained in high yield and represent interesting building blocks for novel indoles. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.03.011
• 作为产物：
  描述：

  diethyl 1-methyl-1H-indole-2,3-dicarboxylate 在 二异丁基氢化铝 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 0.05h， 以90%的产率得到ethyl 2-formyl-1-methyl-1H-indole-3-carboxylate
  参考文献：
  名称：

  Selective reduction and functionalization of diethyl 1-alkyl-1H-indole-2,3-dicarboxylates

  摘要：

  A convenient and highly selective reduction of easily accessible indole-2,3-dicarboxylates is described. Ten different 1-alkyl-2-formyl-1H-indole-3-carboxylates are obtained in high yield and represent interesting building blocks for novel indoles. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.03.011

文献信息

• Selective reduction and functionalization of diethyl 1-alkyl-1H-indole-2,3-dicarboxylates
  作者：Iliyas Ali Sayyed、Karolin Alex、Annegret Tillack、Nicolle Schwarz、Anke Spannenberg、Dirk Michalik、Matthias Beller

  DOI：10.1016/j.tet.2008.03.011

  日期：2008.5

  A convenient and highly selective reduction of easily accessible indole-2,3-dicarboxylates is described. Ten different 1-alkyl-2-formyl-1H-indole-3-carboxylates are obtained in high yield and represent interesting building blocks for novel indoles. (C) 2008 Elsevier Ltd. All rights reserved.