5-methyl-1-(4'-[2.2]paracyclophanyl)-1H-tetrazole | 851659-80-8

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 5-methyl-1-(4'-[2.2]paracyclophanyl)-1H-tetrazole
• 英文别名: 5-Methyl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tetrazole；5-methyl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tetrazole
• CAS: 851659-80-8
• 化学式: C₁₈H₁₈N₄
• 分子量: 290.368
• InChiKey: WAXFARPUTSKHMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-methyl-1-(4'-[2.2]paracyclophanyl)-1H-tetrazole 、 环己-1,3-二烯-5-炔 以 乙腈 为溶剂， 以78%的产率得到5-benzyl-1-(4'-[2.2]paracyclophanyl)-1H-tetrazole
  参考文献：
  名称：

  5-Benzyl-1H-tetrazols from the reaction of 1-aryl-5-methyl-1H-tetrazoles with 1,2-dehydrobenzene

  摘要：

  A series of 1-aryl-5-benzyl-1H-tetrazoles has been obtained during the reaction of 1-aryl-5-methyl-1H-tetrazoles with 1,2-dehydrobenzene. The mechanism of product formation was investigated. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.02.072
• 作为产物：
  描述：

  4-amino[2.2]paracyclophane 在 sodium hydroxide 、 三(2-氯乙基)胺 、 五氯化磷 作用下， 以 甲醇 、 水 、 苯 为溶剂， 反应 8.0h， 生成 5-methyl-1-(4'-[2.2]paracyclophanyl)-1H-tetrazole
  参考文献：
  名称：

  5-Benzyl-1H-tetrazols from the reaction of 1-aryl-5-methyl-1H-tetrazoles with 1,2-dehydrobenzene

  摘要：

  A series of 1-aryl-5-benzyl-1H-tetrazoles has been obtained during the reaction of 1-aryl-5-methyl-1H-tetrazoles with 1,2-dehydrobenzene. The mechanism of product formation was investigated. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.02.072

文献信息

• 5-Benzyl-1H-tetrazols from the reaction of 1-aryl-5-methyl-1H-tetrazoles with 1,2-dehydrobenzene
  作者：Ashraf A. Aly、Raafat M. Shaker

  DOI：10.1016/j.tetlet.2005.02.072

  日期：2005.4

  A series of 1-aryl-5-benzyl-1H-tetrazoles has been obtained during the reaction of 1-aryl-5-methyl-1H-tetrazoles with 1,2-dehydrobenzene. The mechanism of product formation was investigated. (c) 2005 Elsevier Ltd. All rights reserved.