1H-吡唑-1-胺 | 3994-46-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1H-吡唑-1-胺
• 英文名称: N-aminopyrazole
• 英文别名: 1H-pyrazol-1-amine；1-aminopyrazole；2-aminopyrazole；amino-pyrazole；aminopyrazole；amino pyrazole；pyrazol-1-amine
• CAS: 3994-46-5
• 化学式: C₃H₅N₃
• mdl: MFCD13190793
• 分子量: 83.0928
• InChiKey: NYIGEYYREVRXES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933199090

反应信息

• 作为反应物：
  描述：

  1H-吡唑-1-胺 在 氧气 、 氧化亚氮 作用下， 以 乙腈 为溶剂， 反应 0.08h， 以100%的产率得到吡唑
  参考文献：
  名称：

  Radical Scavenging by N -Aminoazaaromatics

  摘要：

  N-Aminoazaaromatics were found to react with nitric oxide in the presence of oxygen to afford deaminated products in high yields. The reaction proceeded almost instantaneously in various solvents including water, and one to two equivalent of NO was consumed depending upon the amount of oxygen coexisted, and 1 equivalent of N2O was released in the reaction. In addition, N-aminoazoles were deaminated by potassium superoxide to give parent azoles in good yields. Two equivalents of superoxide was consumed, and about half equivalents of both nitrite and nitrate ion were released. The results demonstrated that N-aminoazoles have ability to protect the biological system against the oxidation promoted by radicals such as nitrogen oxides and superoxide. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00118-8
• 作为产物：
  描述：

  1-甲基-1,4-环己二烯 生成 1H-吡唑-1-胺
  参考文献：
  名称：

  CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE

  摘要：

  公式I的环醚吡唑-4-基-杂环基-羧酰胺化合物，包括立体异构体、几何异构体、互变异构体和其药学上可接受的盐，其中R2为环醚，X为噻唑基、吡啶基、吡啶基或嘧啶基，可用于抑制Pim激酶，并用于治疗由Pim激酶介导的癌症等疾病。公开了使用公式I化合物进行体外、体内和体内诊断、预防或治疗哺乳动物细胞中的这类疾病或相关病理条件的方法。

  公开号：

  US20140088117A1
• 作为试剂：
  描述：

  4-(2-碘-乙基)-吗啉 、 2,3-二氢-1-甲基-3-氧代-1H-吡唑-4-羧酸乙酯 在 1H-吡唑-1-胺 、 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 17.0h， 以120 mg的产率得到ethyl 1-methyl-3-(2-morpholinoethoxy)-1H-pyrazole-4-carboxylate
  参考文献：
  名称：

  MCL-1 INHIBITORS

  摘要：

  本公开涉及通常用于治疗癌症的化合物和药物组合物。

  公开号：

  US20190352271A1

文献信息

• PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE
  申请人：GENENTECH, INC.

  公开号：US20130079321A1

  公开（公告）日：2013-03-28

  Pyrazol-4-yl-heterocyclyl-carboxamide compounds of Formula I, including stereoisomers, geometric isomers, tautomers, and pharmaceutically acceptable salts thereof, wherein X is thiazolyl, pyrazinyl, pyridinyl, or pyrimidinyl, are useful for inhibiting Pim kinase, and for treating disorders such as cancer mediated by Pim kinase. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  Formula I中的吡唑-4-基杂环基-羧酰胺化合物，包括其立体异构体、几何异构体、互变异构体和药学上可接受的盐，其中X为噻唑基、吡啶基、吡啶基或嘧啶基，用于抑制Pim激酶，并用于治疗由Pim激酶介导的癌症等疾病。公开了使用Formula I化合物进行体外、原位和体内诊断、预防或治疗哺乳动物细胞中的这类疾病或相关病理条件的方法。
• Scope of the Inverse Electron Demand Diels–Alder Reactions of 1,2,3-Triazine
  作者：Erin D. Anderson、Dale L. Boger

  DOI：10.1021/ol2007428

  日期：2011.5.6

  An examination of the scope of the inverse electron demand Diels–Alder reactions of the parent unsubstituted 1,2,3-triazine is described including the first report of its unique capabilities for participating in previously unexplored [4 + 2] cycloaddition reactions with heterodienophiles.

  描述了对母体未取代的 1,2,3-三嗪的逆电子需求 Diels-Alder 反应范围的检查，包括其参与先前未探索的 [4 + 2] 环加成反应与亲异二烯体的独特能力的第一份报告。
• Inverse Electron Demand Diels–Alder Reactions of 1,2,3-Triazines: Pronounced Substituent Effects on Reactivity and Cycloaddition Scope
  作者：Erin D. Anderson、Dale L. Boger

  DOI：10.1021/ja204856a

  日期：2011.8.10

  A systematic study of the inverse electron demand Diels-Alder reactions of 1,2,3-triazines is disclosed, including an examination of the impact of a C5 substituent. Such substituents were found to exhibit a remarkable impact on the cycloaddition reactivity of the 1,2,3-triazine without altering, and perhaps even enhancing, the intrinsic cycloaddition regioselectivity. The study revealed not only that

  公开了对 1,2,3-三嗪的逆电子需求 Diels-Alder 反应的系统研究，包括对 C5 取代基影响的检查。发现此类取代基对 1,2,3-三嗪的环加成反应性表现出显着影响，而不会改变甚至可能增强固有的环加成区域选择性。该研究表明，反应性不仅可以通过 C5 取代基（R = CO(2)Me > Ph > H）可预测地调节，而且其影响对于转化 1,2,3-三嗪 (1)及其适度的环加成范围进入杂环氮杂二烯体系，其反应范围预示着广泛的合成效用，扩大了参与亲二烯体的范围。值得注意的是，这些研究定义了现在强大的附加杂环氮杂二烯，
• Rearrangement of 1-amino- and 1-alkylamino-pyrazoles to 5-aminopyrazoles
  作者：Dionisia Sanz、Rosa Ma Claramunt、Jos� Elguero、Loreto Salazar、Modesta Espada

  DOI：10.1039/p19900000809

  日期：——

  Rearrangement of 1-aminopyrazole and 1-alkylaminopyrazoles into the corresponding 5-aminopyrazoles has been achieved in 48% aqueous hydrobromic acid. The reaction, occurring through a ring opening–ring closure mechanism, constitutes a new and unambiguous procedure for the preparation of 1-substituted 5-aminopyrazoles. The products have been identified on the basis of 1H and 13C n.m.r. spectroscopic

  在48％的氢溴酸水溶液中已经实现了将1-氨基吡唑和1-烷基氨基吡唑重排成相应的5-氨基吡唑。通过开环-开环机理发生的反应，构成了制备1-取代的5-氨基吡唑的新方法。产品已根据1 H和13 C nmr光谱结果以及与真实样品的比较进行了鉴定。
• Process for producing pyrazolo[1,5-b][1,2,4]triazole derivatives
  申请人：Fuji Photo Film Co., Ltd.

  公开号：US04705863A1

  公开（公告）日：1987-11-10

  Pyrazolo[1,5-b][1,2,4]triazole derivatives are produced by ring closure of an amidoxime compound having a pyrazolyl group. The product can be used as a photographic magenta coupler as such. It is also useful as an intermediate for the magenta coupler, as a dye developer for diffusion transfer process, as an intermediate for the dye releasing agent, and as an intermediate for the photographic sensitizing dye.

  Pyrazolo[1,5-b][1,2,4]triazole衍生物是通过闭环一个带有吡唑基团的氨基肟化合物而产生的。该产品可以直接用作照相红色偶联剂。它还可用作照相红色偶联剂的中间体，扩散转移过程的染料显影剂，染料释放剂的中间体，以及照相感光染料的中间体。