3-(4'-chlorophenyl)-1-methylpyrazole | 73387-53-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4'-chlorophenyl)-1-methylpyrazole
• 英文别名: 3-(4-chlorophenyl)-1-methyl-1H-pyrazole；3-(4-chlorophenyl)-1-methylpyrazole
• CAS: 73387-53-8
• 化学式: C₁₀H₉ClN₂
• 分子量: 192.648
• InChiKey: INNLNNQAXPNNKD-UHFFFAOYSA-N

物化性质

• 熔点：
  72 °C
• 沸点：
  310.4±17.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-(4'-chlorophenyl)-1-methylpyrazole 在 Crabtree's catalyst 、 重水 、 氘 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  The scope and limitations of deuteration mediated by Crabtree's catalyst

  摘要：

  Exchange of protons for deuterons mediated by Crabtree's catalyst, 1, is directed efficiently by a functional group containing an sp(2)-hybridised nitrogen or oxygen atom; more electron-rich substrates are, in general, deuterated more efficiently. The electronic effects of substituents in the arene ring are critical only where the directing group is poor, in which case exchange is generally promoted by electron donating substituents, but the exchange is impeded by bulky meta-substituents. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00945-0
• 作为产物：
  描述：

  氯苯 在 manganese(IV) oxide 、 aluminum (III) chloride 、 sodium carbonate 作用下， 以 丙醇 、 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 53.0h， 生成 3-(4'-chlorophenyl)-1-methylpyrazole
  参考文献：
  名称：

  Transformation of arenes into 3-arylpyrazoles and 3-arylisoxazolines with β-bromopropionyl chloride, hydrazine, and hydroxylamine

  摘要：

  Successive treatment of arenes with beta-bromopropionyl chloride and AlCl3, followed by the reactions with hydrazines and Na2CO3, and then with MnO2 gave the corresponding 3-arylpyrazoles in one pot in good to moderate yields. The same successive treatment of arenes with beta-bromopropionyl chloride and AlCl3, followed by the reactions with hydroxylamine and KF gave the corresponding 3-arylisoxazolines in one pot in good to moderate yields. (C) 2020 Elsevier Science. All rights reserved.

  DOI：

  10.1016/j.tet.2019.130920

文献信息

• 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES
  申请人：Cook Adam

  公开号：US20120101103A1

  公开（公告）日：2012-04-26

  Compounds of Formula I: (I) in which A, A 1 , R 1 , R 7a , R 7b , R 8 and R 10 have the meanings given in the specification, are DP2 receptor inhibitors useful in the treatment of useful in the treatment and prevention of immunologic diseases, allergic diseases such as asthma, allergic rhinitis and atopic dermatitis, and other inflammatory diseases mediated by prostaglandin D 2 (PGD 2 ). The compounds of Formula I may also be useful in treating diseases or medical conditions involving the Th2 T cell via production of IL-4, IL-5 and/or IL-13.

  化合物公式I：（I），其中A，A1，R1，R7a，R7b，R8和R10的含义如规范中所述，是DP2受体抑制剂，可用于治疗免疫性疾病、过敏性疾病（如哮喘、过敏性鼻炎和特应性皮炎）以及通过前列腺素D2（PGD2）介导的其他炎症性疾病的治疗和预防。公式I的化合物还可用于治疗涉及Th2 T细胞通过产生IL-4、IL-5和/或IL-13的疾病或医疗条件。
• Cascade reaction to 1H-pyrazoles from hydrazones via sodium Ni-trite promoted dual C–C/C–N formation, annulation and aromatization with 1,2-dichloroethane
  作者：Liqiang Hao、Hongyan Liu、Zheng Zhang、Fuqiang Wen、Chengcai Xia、Zengfen Pang

  DOI：10.1016/j.cclet.2021.02.025

  日期：2021.7
• GRIMMETT M. R.; LIM K. H. R.; WEAVERS R. T., AUSTRAL. J. CHEM., 1979, 32, NO 10, 2203-2213
  作者：GRIMMETT M. R.、 LIM K. H. R.、 WEAVERS R. T.

  DOI：——

  日期：——
• Diazepine antiallergy agents
  申请人：Pfizer Limited

  公开号：EP0389189B1

  公开（公告）日：1994-05-18
• US5008263A
  申请人：——

  公开号：US5008263A

  公开（公告）日：1991-04-16