2-异丙基苯肼盐酸盐 | 58928-82-8

• 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-异丙基苯肼盐酸盐
• 英文名称: 2-isopropylphenylhydrazine hydrochloride
• 英文别名: (2-Isopropylphenyl)hydrazine hydrochloride；(2-propan-2-ylphenyl)hydrazine;hydrochloride
• CAS: 58928-82-8
• 化学式: C₉H₁₄N₂*ClH
• 分子量: 186.684
• InChiKey: CKXZKQCZCLMTPM-UHFFFAOYSA-N

物化性质

• 熔点：
  206-210 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7))

计算性质

• 辛醇/水分配系数(LogP)：
  2.52
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  38
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2-异丙基苯肼盐酸盐 在 吡啶 、 乙醇 、 水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 14.0h， 生成 C₁₅H₁₈N₂O₂
  参考文献：
  名称：

  Improving the solubility and antileukemia activity of Wnt/β-catenin signaling inhibitors by disrupting molecular planarity

  摘要：

  DOI：

  10.1016/j.bmc.2022.116890

文献信息

• Dihydroindenoindole compounds and methods for using the same
  申请人：University of Bath

  公开号：US05185360A1

  公开（公告）日：1993-02-09

  Compounds of the formula ##STR1## wherein R is hydrogen or a lower alkyl group, R.sup.1 and R.sup.2 are independently selected from hydrogen or a lower alkyl group, R.sup.3, R.sup.4 and R.sup.6 are independently selected from hydrogen, halogen or a lower alkyl group, R.sup.5 is hydrogen, hydroxy, halogen, a lower alkyl group, a lower alkoxy group, a mono- or di-lower alkylamino group, NH.sub.2 or NR.sup.11 COR.sup.12, R.sup.7, R.sup.8, R.sup.9 and R.sup.10 are independently selected from hydrogen, hydroxy, a lower alkyl group, a lower alkoxy group, a mono- or di-lower alkylamino group, NH.sub.2 or NR.sup.11 COR.sup.12, R.sup.11 is a hydrogen or a lower alkyl group, R.sup.12 is a lower alkyl group, with the proviso that when R is hydrogen then at least one of the substituents R.sup.1 to R.sup.10 is not hydrogen, or a salt thereof, are useful as antioxidants, within the medical and non-medical field, and that when R is hydrogen, methyl or neopentyl in formula IA, then at least one of R.sup.1 to R.sup.10 is not hydrogen. Many of the compounds of formula IA and IB are new and various methods for preparing them are described.

  式##STR1##中的化合物，其中R是氢或较低的烷基基团，R.sup.1和R.sup.2分别选择自氢或较低的烷基基团，R.sup.3、R.sup.4和R.sup.6分别选择自氢、卤素或较低的烷基基团，R.sup.5是氢、羟基、卤素、较低的烷基基团、较低的烷氧基、单或双较低的烷基氨基基团、NH.sub.2或NR.sup.11 COR.sup.12，R.sup.7、R.sup.8、R.sup.9和R.sup.10分别选择自氢、羟基、较低的烷基基团、较低的烷氧基、单或双较低的烷基氨基基团、NH.sub.2或NR.sup.11 COR.sup.12，R.sup.11是氢或较低的烷基基团，R.sup.12是较低的烷基基团，但是当R为氢时，那么R.sup.1到R.sup.10中至少有一个取代基不是氢，或其盐，可用作抗氧化剂，在医学和非医学领域内，当R为氢、甲基或新戊基在式IA中时，那么R.sup.1到R.sup.10中至少有一个不是氢。式IA和IB的许多化合物是新的，描述了各种制备它们的方法。
• Selective, Metal-Free Approach to 3- or 5-CF₃-Pyrazoles: Solvent Switchable Reaction of CF₃-Ynones with Hydrazines
  作者：Vasiliy M. Muzalevskiy、Alexander Yu. Rulev、Alexey R. Romanov、Evgeniy V. Kondrashov、Igor A. Ushakov、Vyacheslav A. Chertkov、Valentine G. Nenajdenko

  DOI：10.1021/acs.joc.7b00774

  日期：2017.7.21

  A detailed study of the reaction of trifluoroacetylated acetylenes and aryl (alkyl) hydrazines was performed, aimed to the regioselective synthesis of 3- or 5-trifluoromethylated pyrazoles. It was found that the regioselectivity of reaction depends dramatically on the solvent nature. Highly polar protic solvents (hexafluoroisopropanol) favor the formation of 3-trifluoromethylpyrazoles. In contrast

  对三氟乙酰化乙炔与芳基（烷基）肼的反应进行了详细的研究，目的在于区域选择性合成3-或5-三氟甲基化的吡唑。发现反应的区域选择性极大地取决于溶剂性质。高极性质子溶剂（六氟异丙醇）有利于3-三氟甲基吡唑的形成。相反，当反应在极性非质子溶剂（DMSO）中进行时，优先观察到它们的5-CF 3-取代的异构体的形成。或者，3-CF 3的区域选择性组装取代的吡唑可以通过两步一锅法进行。在酸性催化剂存在下三氟甲基化的炔酮与芳基（烷基）肼的反应导致形成相应的。后者可以通过用碱处理平滑地转化为3-CF 3-吡唑。该溶剂可切换程序用于制备重要药物，如Celebrex和SC-560以及其以克为单位的异构体。讨论了可能的反应机理。
• PYRAZOLE DERIVATIVES AS ANTI-PLATELET AND ANTI-THROMBOTIC AGENTS
  申请人：Chi Liguo

  公开号：US20080269293A1

  公开（公告）日：2008-10-30

  This invention relates to novel compounds of formula (I) or stereoisomers or pharmaceutically acceptable salts thereof wherein Y, R 1 through R 9 , and X 1 through X 7 are as defined in the specification, pharmaceutical compositions containing said compounds useful as P2Y 1 antagonists, and to methods of treating thromboembolic disorders.

  本发明涉及公式（I）的新化合物或其立体异构体或药学上可接受的盐，其中Y，R1至R9和X1至X7如规范中定义的，包含该化合物的制药组合物作为P2Y1拮抗剂有用，并用于治疗血栓栓塞性疾病的方法。
• Indenoindole compounds I
  申请人：UNIVERSITY OF BATH

  公开号：EP0404536A1

  公开（公告）日：1990-12-27

  Compounds of the formula wherein R is hydrogen or a lower alkyl group, R¹ and R² are independently selected from hydrogen or a lower alkyl group, R³, R⁴ and R⁶ are independently selected from hydrogen, halogen or a lower alkyl group, R⁵ is hydrogen, hydroxy, halogen, a lower alkyl group, a lower alkoxy group, a mono- or di-lower alkylamino group, NH₂ or NR¹¹ COR¹², R⁷, R⁸, R⁹ and R¹⁰ are independently selected from hydrogen, hydroxy, a lower alkyl group, a lower alkoxy group, a mono- or di-lower alkylamino group, NH₂ or NR¹¹ COR¹², R¹¹ is a hydrogen or a lower alkyl group, R¹² is a lower alkyl group, with the proviso that when R is hydrogen then at least one of the substituents R¹ to R¹⁰ is not hydrogen, or a salt thereof, are useful as antioxidants, within the medical and non medical field, and that when R is hydrogen, methyl or neopentyl in formula IA, then at least one of R¹ to R¹⁰ is not hydrogen. Many of the compounds of formula IA and IB are new and various methods for preparing them are described.

  式中的化合物 其中 R 是氢或低级烷基、 R¹ 和 R² 独立选自氢或低级烷基，R³、R⁴ 和 R⁶ 独立选自氢、卤素或低级烷基、 R⁵ 是氢、羟基、卤素、低级烷基、低级烷氧基、单或双低级烷基氨基、NH₂ 或 NR¹¹ COR¹²、 R⁷、R⁸、R⁹ 和 R¹⁰ 独立选自氢、羟基、低级烷基、低级烷氧基、单或双低级烷基氨基、NH₂ 或 NR¹¹ COR¹²、 R¹¹ 是氢或低级烷基、 R¹² 是低级烷基、 但当 R 为氢时，R¹ 至 R¹⁰ 中至少有一个取代基不为氢，或其盐类在医疗和非医疗领域可用作抗氧化剂；当式 IA 中 R 为氢、甲基或新戊基时，R¹ 至 R¹⁰ 中至少有一个取代基不为氢。式 IA 和 IB 的许多化合物都是新化合物，并介绍了制备它们的各种方法。
• 3-hetero-substituted-N-benzyl-indoles
  申请人：MERCK FROSST CANADA INC.

  公开号：EP0275667B1

  公开（公告）日：1992-03-18