methyl 2,6-bis(1-butyl-1H-1,2,3-triazol-4-yl)isonicotinate | 1232143-80-4

• 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: methyl 2,6-bis(1-butyl-1H-1,2,3-triazol-4-yl)isonicotinate
• 英文别名: Methyl 2,6-bis(1-butyltriazol-4-yl)pyridine-4-carboxylate
• CAS: 1232143-80-4
• 化学式: C₁₉H₂₅N₇O₂
• 分子量: 383.453
• InChiKey: GBMNOFLJHXRRGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  28
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl 2,6-bis(1-butyl-1H-1,2,3-triazol-4-yl)isonicotinate 在 lithium hydroxide 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.33h， 以98%的产率得到2,6-bis(1-butyl-1H-1,2,3-triazol-4-yl)isonicotinic acid
  参考文献：
  名称：

  “Click-Fluors”: Synthesis of a Family of π-Conjugated Fluorescent Back-to-Back Coupled 2,6-Bis(triazol-1-yl)pyridines and Their Self-Assembly Studies

  摘要：

  This paper presents an eight-step synthetic method for the preparation of a series of new back-to-back coupled 2,6-bis(triazol-1-yl)pyridine (btp) molecules (L1-L3). These L1-L3 molecules displayed fluorescent emission at 381, 381, and 457 nm, respectively. We also demonstrated the self-assembly of these fluorescent molecules with Eu(3+) ions to obtain Eu(3+) centered red-orange luminescent solids via "antenna effect".

  DOI：

  10.1021/jo100598q
• 作为产物：
  描述：

  n-butylazide 、 2,6-di(ethynyl)-4-methyloxycarbonylpyridine 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 乙醇 、 水 为溶剂， 反应 10.0h， 以97%的产率得到methyl 2,6-bis(1-butyl-1H-1,2,3-triazol-4-yl)isonicotinate
  参考文献：
  名称：

  “Click-Fluors”: Synthesis of a Family of π-Conjugated Fluorescent Back-to-Back Coupled 2,6-Bis(triazol-1-yl)pyridines and Their Self-Assembly Studies

  摘要：

  This paper presents an eight-step synthetic method for the preparation of a series of new back-to-back coupled 2,6-bis(triazol-1-yl)pyridine (btp) molecules (L1-L3). These L1-L3 molecules displayed fluorescent emission at 381, 381, and 457 nm, respectively. We also demonstrated the self-assembly of these fluorescent molecules with Eu(3+) ions to obtain Eu(3+) centered red-orange luminescent solids via "antenna effect".

  DOI：

  10.1021/jo100598q

文献信息

• “Click-Fluors”: Synthesis of a Family of π-Conjugated Fluorescent Back-to-Back Coupled 2,6-Bis(triazol-1-yl)pyridines and Their Self-Assembly Studies
  作者：Naisa Chandrasekhar、Rajadurai Chandrasekar

  DOI：10.1021/jo100598q

  日期：2010.7.16

  This paper presents an eight-step synthetic method for the preparation of a series of new back-to-back coupled 2,6-bis(triazol-1-yl)pyridine (btp) molecules (L1-L3). These L1-L3 molecules displayed fluorescent emission at 381, 381, and 457 nm, respectively. We also demonstrated the self-assembly of these fluorescent molecules with Eu(3+) ions to obtain Eu(3+) centered red-orange luminescent solids via "antenna effect".