8-chlorotetrazolo[1,5-a]pyrazine | 77888-19-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 8-chlorotetrazolo[1,5-a]pyrazine
• CAS: 77888-19-8
• 化学式: C₄H₂ClN₅
• mdl: MFCD09909755
• 分子量: 155.546
• InChiKey: OAPDEASJMBJHRA-UHFFFAOYSA-N

物化性质

• 熔点：
  101-104 °C
• 密度：
  1.97±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  8-chlorotetrazolo[1,5-a]pyrazine 生成 2-azido-3-chloropyrazine
  参考文献：
  名称：

  Nitrile Ylides: Allenic and Propargylic Structures from Pyrazinylnitrenes. Experimental and Theoretical Characterization

  摘要：

  Matrix photolysis of 2-pyrazinyl azides/tetrazolo[1,5-a]pyrazines generates nitrile ylides 15 via pyrazinylnitrenes 13 and triazacycloheptatetraenes 14. The nitrile ylides 15 are characterized by IR spectroscopy in conjunction with harmonic and anharmonic vibrational frequency calculations. The nitrile ylides exist in the matrices in the Z,Z-conformations in which they are born. Substitution on the nitrile carbon of nitrile ylides has a profound effect on their structure. Even different conformers of the same molecule can have differences up to 200 cm(-1) in the IR absorptions of the ylide moieties. Nitrite ylides 15a and 15b (R = H or Cl, R' = H) have allenic structures (15 Allenic). Nitrile ylide 15c (R = R' = CH3) has a distinctly propargylic structure (15 Propargylic) in the experimentally observed Z,Z-conformation.

  DOI：

  10.1021/jo500002r
• 作为产物：
  描述：

  3-氯-2-肼-1,2-二氢吡嗪盐酸盐 在 溶剂黄146 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 1.0h， 以73%的产率得到8-chlorotetrazolo[1,5-a]pyrazine
  参考文献：
  名称：

  [EN] HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE
  [FR] INHIBITEURS HÉTÉROCYCLIQUES DE RÉCEPTEURS DE L'HISTAMINE DESTINÉS AU TRAITEMENT DE MALADIE

  摘要：

  公开号：

  WO2011112766A3

文献信息

• Transformations of 8-substituted tetrazolo[1,5-a]pyrazines
  作者：P. A. Slepukhin、G. L. Rusinov、S. S. Dedeneva、V. N. Charushin

  DOI：10.1007/s11172-007-0056-6

  日期：2007.2

  The reactions of 8-chlorotetrazolo[1,5-a]pyrazine with N-, O-, and S-nucleophiles involve the ipso substitution of the chlorine atom. Heating of this compound with benzotriazole or phenyltetrazole results in elimination of the nitrogen molecule from one of the tetrazole rings to form new annelated azapentalenes.

  8-氯四唑并[1,5-a]吡嗪与N-、O-和S-亲核试剂的反应涉及氯原子的ipso取代。将该化合物与苯并三唑或苯基四唑一起加热导致氮分子从四唑环之一中消除，形成新的退火氮杂戊烯。
• HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE
  申请人：Borchardt Allen

  公开号：US20110237565A1

  公开（公告）日：2011-09-29

  The present invention relates to compounds and methods which may be useful as inhibitors of H 4 R for the treatment or prevention of inflammatory, autoimmune, allergic, and ocular diseases.

  本发明涉及化合物和方法，可用作H4R的抑制剂，用于治疗或预防炎症、自身免疫、过敏和眼部疾病。
• Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease
  申请人：Borchardt Allen

  公开号：US08569300B2

  公开（公告）日：2013-10-29

  The present invention relates to substituted tetrazolo[1,5-a]pyrazine compounds for Formula IX: as well as pharmaceutical compositions thereof, which may be useful as inhibitors of H4R for the treatment or prevention of inflammatory, autoimmune, allergic, and ocular diseases.

  本发明涉及代替的四唑[1,5-a]吡嗪化合物，化学式为IX：以及其制药组合物，可用作H4R的抑制剂，用于治疗或预防炎症、自身免疫、过敏和眼部疾病。
• Heterocyclic inhibitors of histamine receptors for the treatment of disease
  申请人：Chen Pingyun

  公开号：US08859550B2

  公开（公告）日：2014-10-14

  The present invention relates to salts, hydrates, and polymorphs of bicyclic heteroaryl compounds, and pharmaceutical compositions thereof, which may be useful as inhibitors of H4R for the treatment or prevention of diseases including allergic rhinitis.

  本发明涉及双环杂芳基化合物的盐、水合物和多晶形式，以及其制备的药物组合物，可用于治疗或预防包括过敏性鼻炎在内的疾病，可能对H4R的抑制剂有用。
• [EN] HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS HÉTÉROCYCLIQUES DES RÉCEPTEURS À L'HISTAMINE UTILISABLES EN VUE DU TRAITEMENT DE MALADIES
  申请人：KALYPSYS INC

  公开号：WO2013039785A3

  公开（公告）日：2013-07-11