1-phenyl-5-(undec-5-yn-1-ylthio)-1H-tetrazole | 1448441-37-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-phenyl-5-(undec-5-yn-1-ylthio)-1H-tetrazole
• CAS: 1448441-37-9
• 化学式: C₁₈H₂₄N₄S
• 分子量: 328.481
• InChiKey: OZQXZMCYFOXZJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.51
• 重原子数：
  23.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  43.6
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1-phenyl-5-(undec-5-yn-1-ylthio)-1H-tetrazole 在 ammonium molybdate 、 双氧水 作用下， 以 乙醇 为溶剂， 以50%的产率得到
  参考文献：
  名称：

  A stereoselective method for the construction of the C8′–O–C6″ ether of nigricanoside-A: synthesis of simple models for the C20 lipid chain/galactosyl glycerol segment

  摘要：

  A method for the stereoselective construction of the C8'-O-C6" ether of nigricanoside-A, an antimitotic natural product from the green alga Avrainvillea nigricans, has been developed based on chirality-transferring Ireland-Claisen rearrangement. The method was successfully applied to the synthesis of simple models for the C20 lipid chain/galactosyl glycerol segment of the natural product. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.06.085
• 作为产物：
  描述：

  10-十一烯醛 、 1-苯基-5-巯基四氮唑 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 以62%的产率得到1-phenyl-5-(undec-5-yn-1-ylthio)-1H-tetrazole
  参考文献：
  名称：

  A stereoselective method for the construction of the C8′–O–C6″ ether of nigricanoside-A: synthesis of simple models for the C20 lipid chain/galactosyl glycerol segment

  摘要：

  A method for the stereoselective construction of the C8'-O-C6" ether of nigricanoside-A, an antimitotic natural product from the green alga Avrainvillea nigricans, has been developed based on chirality-transferring Ireland-Claisen rearrangement. The method was successfully applied to the synthesis of simple models for the C20 lipid chain/galactosyl glycerol segment of the natural product. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.06.085