(2,5-二甲基苯基)肼 | 613-85-4

• 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: (2,5-二甲基苯基)肼
• 英文名称: (2,5-dimethylphenyl)hydrazine
• CAS: 613-85-4
• 化学式: C₈H₁₂N₂
• mdl: MFCD02656653
• 分子量: 136.197
• InChiKey: XTXWNXNOTJBIIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  38
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  (2,5-二甲基苯基)肼 在 sodium hydride 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 6.0h， 生成 5-Chloranyl-2-(2,5-dimethylphenyl)-4-(4-methoxyphenoxy)pyridazin-3-one
  参考文献：
  名称：

  Design, synthesis and SAR analysis of novel potent and selective small molecule antagonists of NPBWR1 (GPR7)

  摘要：

  Novel smallmolecule antagonists ofNPBWR1 (GPR7) are herein reported. A high-throughput screening (HTS) of the Molecular Libraries-Small Molecule Repository library identified 5-chloro-4-(4-methoxyphenoxy)-2-(p-tolyl)pyridazin-3(2H)-one as a NPBWR1 hit antagonist with micromolar activity. Design, synthesis and structure-activity relationships study of the HTS-derived hit led to the identification of 5-chloro-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy) pyridazin-3(2H)-one lead molecule with sub-micromolar antagonist activity at the target receptor and high selectivity against a panel of therapeutically relevant off-target proteins. This lead molecule may provide a pharmacological tool to clarify the molecular basis of the in vivo physiological function and therapeutic utility of NPBWR1 in diverse disease areas including inflammatory pain and eating disorders. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.074
• 作为产物：
  描述：

  2,5-二甲基硝基苯 在 Raney nickel 盐酸 、 一水合肼 、 sodium nitrite 作用下， 以 甲醇 、 水 为溶剂， 反应 3.0h， 生成 (2,5-二甲基苯基)肼
  参考文献：
  名称：

  [EN] NOVEL ANTIVIRAL COMPOUNDS
  [FR] NOUVEAUX COMPOSÉS ANTIVIRAUX

  摘要：

  本发明涉及一种化合物I的化学式：或其药用可接受的盐，其中符号如规范中定义；包括相同化合物的药物组合物，以及使用该化合物治疗或预防病毒感染，如HIV的方法。

  公开号：

  WO2012065062A1

文献信息

• Microwave-Promoted Solid-Acid-Catalyzed One-Pot Synthesis of Phthalazinones
  作者：Béla Török、Verona Outerbridge、Shainaz Landge、Hiroko Tamaki

  DOI：10.1055/s-0028-1088074

  日期：2009.6

  K-10 effectively catalyzed the condensation and substitution reactions. The approach was based on the direct cyclization of phthalaldehydic acid and opianic acid with substituted hydrazines. The reactions provided excellent yields and high selectivities in very short time (5-35 minutes). phthalazinones - phthalaldehydic acid - opianic acid - hydrazines - montmorillonite K-10 - microwave heating

  描述了一种一锅的固体酸催化的微波辅助的邻苯二氮酮合成。市售蒙脱土K-10有效催化了缩合和取代反应。该方法基于邻苯二酸和阿片酸与取代的肼的直接环化。反应在极短的时间内（5-35分钟）即可提供出色的收率和高选择性。 邻苯二酮-邻苯二酸-阿片酸-肼-蒙脱石K-10-微波加热
• On the application of the extended Fujita–Nishioka equation to polysubstituted systems. A kinetic study of the rearrangement of several poly-substituted Z-arylhydrazones of 3-benzoyl-5-phenyl-1,2,4-oxadiazole into 2-aryl-4-benzoylamino-5-phenyl-1,2,3-triazoles in dioxane/water
  作者：Francesca D'Anna、Fiammetta Ferroni、Vincenzo Frenna、Susanna Guernelli、Camilla Zaira Lanza、Gabriella Macaluso、Vitalba Pace、Giovanni Petrillo、Domenico Spinelli、Raffaella Spisani

  DOI：10.1016/j.tet.2004.10.054

  日期：2005.1

  or penta-substituted Z-arylhydrazones of 3-benzoyl-5-phenyl-1,2,4-oxadiazole (1a–18a) into the relevant 2-aryl-4-benzoylamino-5-phenyl-1,2,3-triazoles (1b–18b) have been determined in 1:1 (v:v) dioxane/water in a wide range of pS+ (3.80–12.50) at different temperatures. The kinetic data obtained have been correlated with those previously collected for the rearrangement of ortho-, meta- and para-substituted

  3-苯甲酰基-5-苯基-1，2，4-恶二唑（1a – 18a）的几个二，三，四或五取代的Z-芳基hydr重排成相关的2-芳基-4-的重排率苯甲酰氨基-5-苯基-1,2,3-三唑（1b – 18b）已在不同温度下在1：1 p（v：v）二恶烷/水中以较大的p S +（3.80–12.50）测定。获得的动力学数据已与先前收集的用于重排邻，间和对位取代的Z-芳基azo（19a – 38a）的数据相关。）通过藤田和西冈提出，从而在考虑空间位线性自由能关系（LFER）的延伸的装置（Ë小号）和场（˚F ø在除了正常的电子效应）邻近效应（σ邻，间， p）。良好的相关系数被计算出（- [R ≥0.999），具有易感性常数（ρ，δ和˚F）接近先前对所获得的那些19A - 38A，当仅不包括数据的2,6-双-邻-取代的ž -arylhydrazones 11a和16 –图18a显示了比可预见的高得多的反应性，证
• ‘One-pot’ synthesis of 4-substituted 1,5-diaryl-1H-pyrazole-3-carboxylates via lithium tert-butoxide-mediated sterically hindered Claisen condensation and Knorr reaction
  作者：Jian-An Jiang、Wei-Bin Huang、Jiao-Jiao Zhai、Hong-Wei Liu、Qi Cai、Liu-Xin Xu、Wei Wang、Ya-Fei Ji

  DOI：10.1016/j.tet.2012.11.012

  日期：2013.1

  A concise ‘one-pot’ synthesis of a variety of 4-substituted 1,5-diaryl-1H-pyrazole-3-carboxylates has been developed in moderate to good yields with excellent regioselectivity. Less cost lithium tert-butoxide has been identified as a base for sterically hindered Claisen condensation to efficiently generate the labile 3-substituted 4-aryl-2,4-diketoesters. Furthermore, extensive studies lead to a ‘one-pot’

  已经开发了一种简单的“一锅法”合成的各种4-取代的1,5-二芳基-1 H-吡唑-3-羧酸酯，具有中等到良好的产率，具有出色的区域选择性。成本较低的叔丁醇锂已被确定为空间受阻克莱森（Claisen）缩合反应的碱，可有效生成不稳定的3-取代的4-芳基-2,4-二酮酸酯。此外，广泛的研究通过克莱森缩合反应和克诺尔反应相结合而合成“有价值的4-取代的1,5-二芳基-1 H-吡唑-3-羧酸酯”的“一锅法”工艺。
• Alumina-promoted synthesis of N-aryl-1,2,4-triazoles from substituted hydrazines and imides
  作者：William C. Neuhaus、Gustavo Moura-Letts

  DOI：10.1016/j.tetlet.2016.09.086

  日期：2016.11

  Herein we report the highly efficient, environmentally friendly alumina-promoted synthesis of N-aryl-1,2,4-triazoles with a wide variety of substitution patterns from commercially available hydrazines with symmetrical and unsymmetrical imides. Aromatic hydrazines with a variety of substitution patterns provided the corresponding 1,2,4-triazoles in very high yields. Unsymmetrical imides with a wide

  本文中，我们报道了由具有对称和不对称酰亚胺的市售肼高效，环保的氧化铝促进的N-芳基-1,2,4-三唑的合成，具有多种取代方式。具有多种取代模式的芳香肼以非常高的产率提供了相应的1,2,4-三唑。具有多种官能团的不对称酰亚胺还为各自的三唑提供了高收率和完全的区域选择性。高生产率和温和的条件允许大规模制备1,2,4-三唑。
• 2,3,4,9-Tetrahydro-1H-carbazoles
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP1975159A1

  公开（公告）日：2008-10-01

  The present invention relates to 2,3,4,9-tetrahydro-1 H-carbazoles of the general formula I, in which Q, X, W, R1, R2, R3, R4 and R5 have the meaning as defined in the description. The compounds according to the invention are effective FSH antagonists and can be used for example for fertility control in men or in women, or for the prevention and/or treatment of osteoporosis.

  本发明涉及通式I的2,3,4,9-四氢-1H-咔唑， 其中Q、X、W、R1、R2、R3、R4和R5的含义如描述中所定义。 根据本发明的化合物是有效的FSH拮抗剂，可用于男性或女性的生育控制，或用于骨质疏松症的预防和/或治疗。