methyl 4-(2-(p-tolyl)-2H-tetrazol-5-yl)benzoate | 1333317-87-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: methyl 4-(2-(p-tolyl)-2H-tetrazol-5-yl)benzoate
• 英文别名: Methyl 4-[2-(4-methylphenyl)tetrazol-5-yl]benzoate
• CAS: 1333317-87-5
• 化学式: C₁₆H₁₄N₄O₂
• 分子量: 294.313
• InChiKey: AQYNOBVLXFUBEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  69.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 4-(2-(p-tolyl)-2H-tetrazol-5-yl)benzoate 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 四氯化碳 为溶剂， 以80%的产率得到methyl 4-(2-(4-(bromomethyl)phenyl)-2H-tetrazol-5-yl)benzoate
  参考文献：
  名称：

  Discovery of new photoactivatable diaryltetrazoles for photoclick chemistry via ‘scaffold hopping’

  摘要：

  We report the discovery of two long-wavelength (365 nm) photoactivatable diaryltetrazoles through screening a small library of diaryltetrazoles that were designed using a 'scaffold hopping' strategy. A naphthalene-derived tetrazole showed excellent reactivity in the photoinduced cycloaddition reaction with methyl methacrylate under 365 nm photoirradiation in acetonitrile PBS buffer mixture. Besides, the brightly fluorescent pyrazoline cycloadducts that were formed further increase the potential utility of these new diaryltetrazoles as 'photoclick' reagents and as reporters in biological studies. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.087
• 作为产物：
  描述：

  (E)-methyl 4-((2-(phenylsulfonyl)hydrazono)methyl)benzoate 、 p-methylbenzenediazonium chloride 在 吡啶 作用下， 以86%的产率得到methyl 4-(2-(p-tolyl)-2H-tetrazol-5-yl)benzoate
  参考文献：
  名称：

  Discovery of new photoactivatable diaryltetrazoles for photoclick chemistry via ‘scaffold hopping’

  摘要：

  We report the discovery of two long-wavelength (365 nm) photoactivatable diaryltetrazoles through screening a small library of diaryltetrazoles that were designed using a 'scaffold hopping' strategy. A naphthalene-derived tetrazole showed excellent reactivity in the photoinduced cycloaddition reaction with methyl methacrylate under 365 nm photoirradiation in acetonitrile PBS buffer mixture. Besides, the brightly fluorescent pyrazoline cycloadducts that were formed further increase the potential utility of these new diaryltetrazoles as 'photoclick' reagents and as reporters in biological studies. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.087

文献信息

• DETECTION OF ACRYLIC ACID
  申请人：AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH

  公开号：US20170121752A1

  公开（公告）日：2017-05-04

  There is provided a method for detecting the presence or absence of acrylic acid or its derivatives thereof in a sample, the method comprising the steps of: (a) introducing a probe comprising a diaryltetrazole compound to the sample; (b) exposing said sample to light; and (c) detecting the presence or absence of acrylic acid or its derivatives thereof in the sample based on fluorescence emitted by the sample after step (c).