1-(m-tolyl)-4,5-dihydro-1H-pyrazole | 857180-41-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(m-tolyl)-4,5-dihydro-1H-pyrazole
• 英文别名: 1-m-Tolyl-4,5-dihydro-1H-pyrazol；1-M-Tolyl-4,5-dihydro-1H-pyrazole；2-(3-methylphenyl)-3,4-dihydropyrazole
• CAS: 857180-41-7
• 化学式: C₁₀H₁₂N₂
• mdl: MFCD11499276
• 分子量: 160.219
• InChiKey: KMTYSUOKBGYBDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  15.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(m-tolyl)-4,5-dihydro-1H-pyrazole 、 3-methylbenzene diazonium 生成 1-m-tolyl-3-m-tolylazo-4,5-dihydro-1H-pyrazole
  参考文献：
  名称：

  The reaction of diazonium salts with 1-aryl-Δ²-pyrazolines

  摘要：

  DOI：

  10.1039/jr9540000408
• 作为产物：
  描述：

  丙烯醛 、 3-甲苯肼 在 乙醚 作用下， 生成 1-(m-tolyl)-4,5-dihydro-1H-pyrazole
  参考文献：
  名称：

  The reaction of diazonium salts with 1-aryl-Δ²-pyrazolines

  摘要：

  DOI：

  10.1039/jr9540000408

文献信息

• Organic Compounds
  申请人：Shaw Duncan

  公开号：US20100210641A1

  公开（公告）日：2010-08-19

  Compounds of formula I: in free or salt or solvate form, where R 1 , R 2 , R 3 and R 20 have the meanings as indicated in the specification, are useful for treating diseases mediated by the ALK-5 and/or ALK-4 receptor. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described. These compounds are useful for the treatment of inflammatory or obstructive airways diseases such as pulmonary hypertension, pulmonary fibrosis, liver fibrosis, cancer, muscle diseases such as muscle atrophies and muscle dystrophies, and systemic skeletal disorders such as osteoporosis.

  式I的化合物：以自由或盐或溶剂形式存在，其中R1，R2，R3和R20具有规范中指定的含义，可用于治疗由ALK-5和/或ALK-4受体介导的疾病。还描述了含有这些化合物的制药组合物和制备这些化合物的方法。这些化合物对于治疗炎症或阻塞性呼吸道疾病，如肺动脉高压，肺纤维化，肝纤维化，癌症，肌肉疾病，如肌肉萎缩和肌肉营养不良，以及全身性骨骼疾病，如骨质疏松症非常有用。
• Ruthenium-Catalyzed Divergent Acceptorless Dehydrogenative Coupling of 1,3-Diols with Arylhydrazines: Synthesis of Pyrazoles and 2-Pyrazolines
  作者：Yanling Zheng、Yang Long、Huihua Gong、Jiaqi Xu、Chunchun Zhang、Haiyan Fu、Xueli Zheng、Hua Chen、Ruixiang Li

  DOI：10.1021/acs.orglett.2c01497

  日期：2022.6.3

  1,3-diols with arylhydrazines via acceptorless dehydrogenative coupling reactions to selectively synthesize pyrazoles and 2-pyrazolines were reported, which were based on Ru3(CO)12/NHC-phosphine-phosphine catalytic systems. The reactions featured low catalyst loading, high selectivity, wide substrate scope, and good yields, with only water and hydrogen gas (H2) as the byproducts.

  本文报道了基于Ru 3 (CO) 12 /NHC-膦-膦催化体系的1,3-二醇与芳基肼通过无受体脱氢偶联反应选择性合成吡唑和2-吡唑啉的不同转化。该反应具有催化剂负载量低、选择性高、底物范围广、收率高的特点，仅副产物水和氢气（H 2 ）。
• Photohardenable compositions and their use in producing images
  申请人：THE MEAD CORPORATION

  公开号：EP0378373B1

  公开（公告）日：1997-03-05
• GREEN CONCENTRATED REAGENT FOR HEMATOLOGY SYSTEMS
  申请人：Beckman Coulter, Inc.

  公开号：EP3794346A1

  公开（公告）日：2021-03-24