1-Boc-7-(氰基甲基)-1H-吲哚 | 597544-18-8

• 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
• 中文名称: 1-Boc-7-(氰基甲基)-1H-吲哚
• 中文别名: N-Boc-吲哚-7-乙腈
• 英文名称: 7-cyanomethyl indole-1-carboxylic acid tert-butyl ester
• 英文别名: tert-Butyl 7-(cyanomethyl)-1H-indole-1-carboxylate；tert-butyl 7-(cyanomethyl)indole-1-carboxylate
• CAS: 597544-18-8
• 化学式: C₁₅H₁₆N₂O₂
• 分子量: 256.304
• InChiKey: OWHCJMXUQAAFJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 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
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1-Boc-7-(氰基甲基)-1H-吲哚 在 氢氧化钾 作用下， 以 叔丁醇 为溶剂， 以60%的产率得到2-indol-7-yl-acetamide
  参考文献：
  名称：

  Synthesis of 7-cyano- and 7-acetamido-indoles via cyanocarbonation/hydrogenation of 7-formyl indole

  摘要：

  A procedure for the synthesis of 7-cyano and 7-acetamido indoles via eyanocarbonation/hydrogenation of 7-formyl indole is presented. The process can be efficiently scaled up to provide multigram quantities of the desired compounds in good yield. A small survey of substrate scope indicates that the reaction may prove generally useful for the synthesis of aryl acetonitriles. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/s0040-4039(03)01322-4
• 作为产物：
  描述：

  tert-butyl 7-formyl-1H-indole-1-carboxylate 在 palladium on activated charcoal 氢气 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， -10.0~20.0 ℃ 、344.74 kPa 条件下， 生成 1-Boc-7-(氰基甲基)-1H-吲哚
  参考文献：
  名称：

  Synthesis of 7-cyano- and 7-acetamido-indoles via cyanocarbonation/hydrogenation of 7-formyl indole

  摘要：

  A procedure for the synthesis of 7-cyano and 7-acetamido indoles via eyanocarbonation/hydrogenation of 7-formyl indole is presented. The process can be efficiently scaled up to provide multigram quantities of the desired compounds in good yield. A small survey of substrate scope indicates that the reaction may prove generally useful for the synthesis of aryl acetonitriles. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/s0040-4039(03)01322-4

文献信息

• Synthesis of 7-cyano- and 7-acetamido-indoles via cyanocarbonation/hydrogenation of 7-formyl indole
  作者：Stanley P. Kolis、Marcella T. Clayton、John L. Grutsch、Margaret M. Faul

  DOI：10.1016/s0040-4039(03)01322-4

  日期：2003.7

  A procedure for the synthesis of 7-cyano and 7-acetamido indoles via eyanocarbonation/hydrogenation of 7-formyl indole is presented. The process can be efficiently scaled up to provide multigram quantities of the desired compounds in good yield. A small survey of substrate scope indicates that the reaction may prove generally useful for the synthesis of aryl acetonitriles. (C) 2003 Published by Elsevier Ltd.