5-((4-chlorophenoxy)methyl)-1H-tetrazole | 24896-24-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-((4-chlorophenoxy)methyl)-1H-tetrazole
• 英文别名: 5-(4-chloro-phenoxymethyl)-1H-tetrazole；5-(4-Chlor-phenoxymethyl)-1H-tetrazol；5-[(4-Chloranylphenoxy)methyl]-1h-1,2,3,4-Tetrazole；5-[(4-chlorophenoxy)methyl]-2H-tetrazole
• CAS: 24896-24-0
• 化学式: C₈H₇ClN₄O
• mdl: MFCD06017316
• 分子量: 210.623
• InChiKey: LAEFYQOLGWVFTE-UHFFFAOYSA-N

物化性质

• 溶解度：
  12.9 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  63.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氯苯氧基乙腈 在 sodium azide 、 ammonium acetate 、 copper(II) oxide 作用下， 以84 %的产率得到5-((4-chlorophenoxy)methyl)-1H-tetrazole
  参考文献：
  名称：

  10.1080/24701556.2024.2356050

  摘要：

  DOI：

  10.1080/24701556.2024.2356050

文献信息

• An Efficient Protocol for Facile Synthesis of New 5-Substituted-1<i>H</i>-Tetrazole Derivatives Using Copper-Doped Silica Cuprous Sulfate (CDSCS) as Heterogeneous Nano-Catalyst
  作者：Mohammad Navid Soltani Rad

  DOI：10.5935/0103-5053.20160138

  日期：——

  A facile and highly efficient protocol for synthesis of new 5-substituted-1H-tetrazoles derivatives using copper-doped silica cuprous sulfate (CDSCS) is described. In this method, the cycloaddition reaction of sodium azide with structurally diverse nitriles involving bioactive N-heterocyclic cores exploiting CDSCS in refluxing H2O/i-PrOH (1:1, v/v) furnishes the corresponding 5-substituted1H-tetrazoles in good to excellent yields (up to 93%). The influence of parameters effective in progress of reaction including solvent type, temperature and catalyst was studied and discussed. In this protocol, CDSCS was proved to be an efficient heterogeneous nano-catalyst to easily achieve the new tetrazole derivatives. The advantages of CDSCS in current protocol known are its cheapness, thermal and chemical stability, ease of recyclability and reusability for several consecutive runs without significant decline in its reactivity.
• 10.1080/24701556.2024.2356050
  作者：Khalifeh, Reza、Sadeghi Ataabadi, Mahboube、Rajabzadeh, Maryam

  DOI：10.1080/24701556.2024.2356050

  日期：——