(2,4-二氟苯基)肼盐酸盐(1:1) | 40594-29-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (2,4-二氟苯基)肼盐酸盐(1:1)
• 英文名称: (2,4-difluorophenyl)hydrazinium chloride
• 英文别名: 2,4-difluorophenylhydrazine hydrochloride；1-(2,4-difluorophenyl)hydrazinehydrochloride；(2,4-Difluoroanilino)azanium;chloride
• CAS: 40594-29-4
• 化学式: C₆H₆F₂N₂*ClH
• mdl: MFCD00013383
• 分子量: 180.585
• InChiKey: AAMNNSRHAVREBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.65
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2,4-二氟苯基)肼盐酸盐(1:1) 在 氢气 、 sodium acetate 、 三乙胺 作用下， 以 水 、 溶剂黄146 为溶剂， 15.0~60.0 ℃ 、204.76 kPa 条件下， 反应 12.5h， 生成 5-amino-1-(2,4-difluorophenyl)-1H-pyrazole-4-carbaldehyde
  参考文献：
  名称：

  Development of a Practical Synthesis of a Pyrazolopyridinone-Based p38 MAP Kinase Inhibitor

  摘要：

  A practical synthesis of the pyrazolopyridinone-based p38 MAP kinase inhibitor (4) was required for an ongoing program. The synthesis of a key pyrazolopyridinone building block was refined and optimized to provide kilogram quantities of 10 without chromatography or extractive workups. An efficient building-block strategy was employed to give optimal control of the key quality attributes, and in situ Raman spectroscopy was used to monitor and understand the complex solid-state properties of 4.

  DOI：

  10.1021/op100205s
• 作为产物：
  描述：

  2,4-二氟苯胺 在 盐酸 、 sodium nitrite 、 tin(II) chloride dihdyrate 作用下， 以 水 为溶剂， 反应 3.0h， 生成 (2,4-二氟苯基)肼盐酸盐(1:1)
  参考文献：
  名称：

  作为具有新型结合模式的 PDHc-E1 抑制剂的 2,6-二甲基-4-氨基嘧啶腙的设计、合成和抗真菌活性

  摘要：

  一系列新型 2,6-二甲基-4-氨基嘧啶腙5被合理设计和合成为丙酮酸脱氢酶复合物 E1 (PDHc-E1) 抑制剂。化合物5强烈抑制大肠杆菌（E.coli）PDHc-E1（IC 50值为 0.94–15.80 μM）。分子对接、定点诱变、酶促和抑制动力学分析表明，化合物5竞争性抑制 PDHc-E1 并以“直线”模式结合在大肠杆菌PDHc-E1 活性位点，这是一种新的结合模式. 在体外抗真菌试验中，大多数化合物5在50μg/ mL的显示针对六个测试植物病原性真菌，包括菌丝生长超过80％的抑制灰霉病，念珠菌fructigena，炭疽病菌，和葡萄座腔dothidea侵染。值得注意的是，5f和5i对M. fructigena 的效力是商业杀菌剂克菌丹和百菌清的1.8-380 倍。在体内，与商业杀菌剂戊唑醇相比，5f和5i控制M. fructigena的生长。因此，5f和5i对防治果蝇桃褐腐病具有潜在的商业价值。

  DOI：

  10.1021/acs.jafc.0c07701

文献信息

• Continuous Flow Process For the Synthesis of Phenylhydrazine Salts and Substituted Phenylhydrazine Salts
  申请人：SHANGHAI HYBRID-CHEM TECHNOLOGIES

  公开号：US20190152896A1

  公开（公告）日：2019-05-23

  The present invention provided a continuous flow process for the synthesis of phenylhydrazine salts and substituted phenylhydrazine salts. Diazotization, reduction, acidic hydrolysis and salifying with acids are innovatively integrated together. Using acidic liquids of aniline or substituted aniline, diazotization reagents, reductants and acids as raw materials, phenylhydrazine derivative salts is obtained through the synthesis process, which is a three-step continuous tandem reaction including diazotization, reduction, acidic hydrolysis and salifying. The described synthesis process is a kind of integrated solutions, which is carried out in an integrated reactor. The feed inlets of the integrated reactor are continuously filled with raw materials. In the integrated reactor, diazotization, reduction, acidic hydrolysis and salifying are carried out continuously and orderly, and phenylhydrazine salts or substituted phenylhydrazine salts is obtained in the outlet of the integrated reactor without interruption. The total reaction time is no more than 20 min.

  本发明提供了一种连续流程，用于合成苯肼盐和取代苯肼盐。重氮化、还原、酸性水解和酸化与酸类创新地集成在一起。使用苯胺或取代苯胺的酸性液体、重氮化试剂、还原剂和酸类作为原料，通过合成过程获得苯肼衍生物盐，这是一个包括重氮化、还原、酸性水解和酸化的三步连续串联反应。所述的合成过程是一种集成解决方案，是在一个集成反应器中进行的。集成反应器的进料口连续填充原料。在集成反应器中，重氮化、还原、酸性水解和酸化被连续有序地进行，苯肼盐或取代苯肼盐在集成反应器的出口处获得，没有中断。总反应时间不超过20分钟。
• [EN] FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES FUSIONNÉS ET LEUR UTILISATION
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2009136663A1

  公开（公告）日：2009-11-12

  The present invention provides a fused heterocyclic derivative having a strong kinase inhibitory activity and use thereof. The present invention relates to a compound represented by the formula wherein each symbol is as defined in the present specification, or a salt thereof.

  本发明提供了一种具有强烈激酶抑制活性的融合杂环衍生物及其用途。本发明涉及本说明书中所定义的符号表示的化合物，或其盐。
• [EN] N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE<br/>[FR] DÉRIVÉS N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-MÉTHYLPROPIONYL)-PIPÉRIDINE EN TANT QU'INHIBITEURS DE PYRUVATE DÉSHYDROGÉNASE KINASE
  申请人：MERCK PATENT GMBH

  公开号：WO2015090496A1

  公开（公告）日：2015-06-25

  Compounds of the formula (I) in which R, R1 and R3 have the meanings indicated in Claim 1, are inhibitors of pyruvate dehydrogenase kinase (PDHK), and can be employed, inter alia, for the treatment of diseases such as cancer.

  公式(I)中的化合物，其中R、R1和R3的含义如权利要求1所述，是丙酮酸脱氢酶激酶（PDHK）的抑制剂，可以用于治疗诸如癌症等疾病。
• Synthesis of aminoalkylpyrazoles and-isoxazoles from cyclic β-(trifluoroacetyl) enamines
  作者：V. G. Nenajdenko、S. V. Pronin、E. S. Balenkova

  DOI：10.1007/s11172-007-0055-7

  日期：2007.2

  A method for the synthesis of cyclic β-(trifluoroacetyl) enamines was proposed. Reactions of the latter with hydrazine and hydroxylamine gave pyrazoles and isoxazoles, respectively, containing trifluoromethyl and ω-aminoalkyl fragments. Addition of hydrazine (hydroxylamine) to the above amino enones was regiospecific, the regiochemistry of the heterocyclization of trifluoromethyl ketones being different

  提出了一种合成环状β-（三氟乙酰基）烯胺的方法。后者与肼和羟胺的反应分别产生吡唑和异恶唑，含有三氟甲基和ω-氨基烷基片段。将肼（羟胺）添加到上述氨基烯酮是区域特异性的，三氟甲基酮杂环化的区域化学不同于非氟化类似物的区域化学。
• BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE
  申请人：Do Steven

  公开号：US20090247567A1

  公开（公告）日：2009-10-01

  Benzopyran and benzoxepin compounds of Formulas I and II, and including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting lipid kinases including p110 alpha and other isoforms of PI3K, and for treating disorders such as cancer mediated by lipid kinases. Methods of using compounds of Formulas I and II for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  Benzopyran和benzoxepin的化合物I和II的分子式，包括其立体异构体、几何异构体、互变异构体、溶剂合物、代谢物和药学上可接受的盐，可用于抑制脂质激酶，包括p110 alpha和PI3K的其他同系物，并用于治疗由脂质激酶介导的癌症等疾病。公开了使用分子式I和II的化合物在哺乳动物细胞中进行体外、体内和体内诊断、预防或治疗此类疾病或相关病理条件的方法。

表征谱图