tert-butyl N-[3-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]ethynyl]pyridin-4-yl]carbamate | 211029-75-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: tert-butyl N-[3-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]ethynyl]pyridin-4-yl]carbamate
• CAS: 211029-75-3
• 化学式: C₂₂H₂₆N₄O₄
• 分子量: 410.473
• InChiKey: SBCIMYAMLGKPNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[3-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]ethynyl]pyridin-4-yl]carbamate 在 copper(l) iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以95%的产率得到Tert-butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]pyrrolo[3,2-c]pyridine-1-carboxylate
  参考文献：
  名称：

  Transition metal catalyzed synthesis of 5-azaindoles

  摘要：

  In an effort to develop synthetic procedures for the preparation of 2-substituted 5-azaindoles, the synthesis and cyclization reactions of acetylenic aminopyridines was explored. A novel method for the synthesis of 2-substituted 5-azaindoles via a transition metal catalyzed reaction is described. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00986-1
• 作为产物：
  描述：

  4-(BOC-氨基)-3-碘吡啶 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 tert-butyl N-[3-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]ethynyl]pyridin-4-yl]carbamate
  参考文献：
  名称：

  Transition metal catalyzed synthesis of 5-azaindoles

  摘要：

  In an effort to develop synthetic procedures for the preparation of 2-substituted 5-azaindoles, the synthesis and cyclization reactions of acetylenic aminopyridines was explored. A novel method for the synthesis of 2-substituted 5-azaindoles via a transition metal catalyzed reaction is described. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00986-1

文献信息

• Transition metal catalyzed synthesis of 5-azaindoles
  作者：Lianhong Xu、Iestyn R. Lewis、Steven K. Davidsen、James B. Summers

  DOI：10.1016/s0040-4039(98)00986-1

  日期：1998.7

  In an effort to develop synthetic procedures for the preparation of 2-substituted 5-azaindoles, the synthesis and cyclization reactions of acetylenic aminopyridines was explored. A novel method for the synthesis of 2-substituted 5-azaindoles via a transition metal catalyzed reaction is described. (C) 1998 Elsevier Science Ltd. All rights reserved.