1-(tert-butyl)-5-phenyl-1H-tetrazole | 59772-95-1

• 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-(tert-butyl)-5-phenyl-1H-tetrazole
• 英文别名: 5-phenyl-1-tert-butyl-1H-tetrazole；1-tert-butyl-5-phenyltetrazole
• CAS: 59772-95-1
• 化学式: C₁₁H₁₄N₄
• 分子量: 202.259
• InChiKey: QXVSNVRYVKCIIM-UHFFFAOYSA-N

物化性质

• 熔点：
  108-109 °C(Solv: cyclohexane (110-82-7))
• 沸点：
  334.3±25.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 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：

  1-(tert-butyl)-5-phenyl-1H-tetrazole 、 2-叔丁基-5-苯基四唑 、 硫酸 以98%的产率得到
  参考文献：
  名称：

  HENRY R. A., J. HETEROCYCL. CHEM. , 1976, 13, NO 2, 391-392

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2,2-三甲基苯乙酮 在 迭氮银 、 五氯化磷 作用下， 生成 1-(tert-butyl)-5-phenyl-1H-tetrazole
  参考文献：
  名称：

  Schroeter, Chemische Berichte, 1911, vol. 44, p. 1202

  摘要：

  DOI：

文献信息

• An Expeditious Approach to Tetrazoles from Amides Utilizing Phosphorazidates
  作者：Kotaro Ishihara、Takayuki Shioiri、Masato Matsugi

  DOI：10.1021/acs.orglett.0c01890

  日期：2020.8.21

  A novel method was developed for the synthesis of tetrazoles from amides utilizing diphenyl phosphorazidate or bis(p-nitrophenyl) phosphorazidate as both the activator of amide–oxygen for elimination and azide source. Various amides were converted into the corresponding tetrazoles in good yields. This synthetic method allows to prepare 1,5-disubstituted and 5-substituted 1H-tetrazoles from various

  开发了一种新的方法，该方法利用叠氮基磷酸二苯酯或叠氮基双（对硝基苯基）磷酸酯作为酰胺-氧消除和叠氮化物的活化剂，从酰胺中合成四唑。各种酰胺以良好的产率转化为相应的四唑。该合成方法允许由各种酰胺制备1，5-二取代和5-取代的1 H-四唑，而无需使用有毒或易爆的试剂。
• Practical synthesis of tetrazoles from amides and phosphorazidates in the presence of aromatic bases
  作者：Kotaro Ishihara、Kazuki Ishihara、Yota Tanaka、Takayuki Shioiri、Masato Matsugi

  DOI：10.1016/j.tet.2022.132642

  日期：2022.2

  Tetrazoles were effectively synthesized from amides using diphenyl phosphorazidate or bis(p-nitrophenyl) phosphorazidate in the presence of aromatic bases. Various amides underwent the proposed cycloaddition reaction to provide the corresponding tetrazoles. Studies on the racemization of chiral substrates were also performed. Overall, the proposed synthesis method enables the preparation of 1,5-disubstituted

  在芳族碱的存在下，使用叠氮化磷酸二苯酯或双（对硝基苯基）叠氮化磷酸酯由酰胺有效地合成了四唑。各种酰胺经历了所提出的环加成反应以提供相应的四唑。还进行了手性底物外消旋化的研究。总体而言，所提出的合成方法能够在不使用有毒或爆炸性试剂的情况下制备 1,5-二取代和 1-取代四唑和 5-取代 1 H-四唑。
• Process for producing N-biphenylmethylthiadiazoline derivative or salt
  申请人：Wakunaga Seiyaku Kabushiki Kaisha

  公开号：US05965738A1

  公开（公告）日：1999-10-12

  Described is a process for producing an N-biphenyl-methylthiadiazoline derivative (7) in accordance with the reaction formula described below. According to the process of the present invention, it is possible to produce a compound (7) advantageously from the industrial viewpoint. ##STR1##

  以下是根据下面所述反应式制备N-联苯基甲基噻二唑啉衍生物（7）的过程。根据本发明的方法，可以从工业角度有利地生产化合物（7）。
• INDANE COMPOUNDS AS CCR5 ANTAGONISTS
  申请人：YOUNGMAN Michael

  公开号：US20090187021A1

  公开（公告）日：2009-07-23

  The present invention relates to compounds of formula (I), or pharmaceutically acceptable derivatives thereof, useful in the treatment of CCR5-related diseases and disorders, for example, useful in the inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS).

  本发明涉及式（I）的化合物或其药学上可接受的衍生物，用于治疗CCR5相关的疾病和障碍，例如，用于抑制HIV复制，预防或治疗HIV感染，并用于治疗由此导致的获得性免疫缺陷综合症（AIDS）。
• PROCESS FOR PRODUCING N-BIPHENYLMETHYLTHIADIAZOLINE DERIVATIVE OR SALT THEREOF AND INTERMEDIATE FOR PRODUCING THE SAME
  申请人：WAKUNAGA SEIYAKU KABUSHIKI KAISHA

  公开号：EP0782996A1

  公开（公告）日：1997-07-09

  Described is a process for producing an N-biphenylmethylthiadiazoline derivative (7) in accordance with the reaction formula described below. According to the process of the present invention, it is possible to produce a compound (7) advantageously from the industrial viewpoint.

  本发明描述了一种按照下述反应式生产 N-联苯基甲基噻二唑啉衍生物（7）的工艺。根据本发明的工艺，可以从工业角度生产出一种化合物（7）。

表征谱图