1-Benzyl-4-butylselanyltriazole | 1414891-15-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-Benzyl-4-butylselanyltriazole
• 英文别名: 1-benzyl-4-butylselanyltriazole
• CAS: 1414891-15-8
• 化学式: C₁₃H₁₇N₃Se
• 分子量: 294.258
• InChiKey: JVEMGNRZIQAEKK-UHFFFAOYSA-N

物化性质

• 沸点：
  421.1±55.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.87
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Benzyl-4-butylselanyltriazole 、 4-(trifluoromethyl)phenylzinc chloride 在 bis(triphenylphosphine)nickel(II) chloride 、 三环己基膦 作用下， 以 四氢呋喃 为溶剂， 以60%的产率得到1-benzyl-4-(4-(trifluoromethyl)phenyl)-1H-1,2,3-triazole
  参考文献：
  名称：

  4-Organochalcogenoyl-1H-1,2,3-triazoles: synthesis and functionalization by a nickel-catalyzed Negishi cross-coupling reaction

  摘要：

  A general method for the synthesis of triazoles containing selenium and tellurium was accomplished via a CuCAAC reaction between organic azides and a terminal triple bond, generated by in situ deprotection of the silyl group. The reaction tolerates alkyl and arylazides, with alkyl and aryl substituents directly bonded to the chalcogen atom. The products were readily functionalized by a nickel-catalyzed Negishi cross-coupling reaction, furnishing the aryl-heteroaryl products at the 4-position in good yields. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.062
• 作为产物：
  描述：

  、 苄基叠氮 在 四丁基氟化铵 、 copper diacetate 、 sodium ascorbate 作用下， 以 四氢呋喃 为溶剂， 以75%的产率得到1-Benzyl-4-butylselanyltriazole
  参考文献：
  名称：

  4-Organochalcogenoyl-1H-1,2,3-triazoles: synthesis and functionalization by a nickel-catalyzed Negishi cross-coupling reaction

  摘要：

  A general method for the synthesis of triazoles containing selenium and tellurium was accomplished via a CuCAAC reaction between organic azides and a terminal triple bond, generated by in situ deprotection of the silyl group. The reaction tolerates alkyl and arylazides, with alkyl and aryl substituents directly bonded to the chalcogen atom. The products were readily functionalized by a nickel-catalyzed Negishi cross-coupling reaction, furnishing the aryl-heteroaryl products at the 4-position in good yields. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.062

文献信息

• 4-Organochalcogenoyl-1H-1,2,3-triazoles: synthesis and functionalization by a nickel-catalyzed Negishi cross-coupling reaction
  作者：Hélio A. Stefani、Daiana M. Leal、Flávia Manarin

  DOI：10.1016/j.tetlet.2012.09.062

  日期：2012.11

  A general method for the synthesis of triazoles containing selenium and tellurium was accomplished via a CuCAAC reaction between organic azides and a terminal triple bond, generated by in situ deprotection of the silyl group. The reaction tolerates alkyl and arylazides, with alkyl and aryl substituents directly bonded to the chalcogen atom. The products were readily functionalized by a nickel-catalyzed Negishi cross-coupling reaction, furnishing the aryl-heteroaryl products at the 4-position in good yields. (C) 2012 Elsevier Ltd. All rights reserved.