4-氟-3-(三氟甲基)苯丙酮 | 239107-27-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-氟-3-(三氟甲基)苯丙酮
• 英文名称: 4'-fluoro-3'-trifluoromethylpropiophenone
• 英文别名: 1-[4-Fluoro-3-(trifluoromethyl)phenyl]propan-1-one
• CAS: 239107-27-8
• 化学式: C₁₀H₈F₄O
• 分子量: 220.167
• InChiKey: DEKWUKRLNDKROW-UHFFFAOYSA-N

物化性质

• 熔点：
  30-33°C
• 沸点：
  218.5±35.0 °C(Predicted)
• 密度：
  1.256±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  避氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2914700090

反应信息

• 作为反应物：
  描述：

  4-氟-3-(三氟甲基)苯丙酮 在 palladium on activated charcoal 噻吩 、 氢气 作用下， 以 甲醇 、 xylene 为溶剂， 反应 6.0h， 生成 Methyl 2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]propyl-formylamino]acetate
  参考文献：
  名称：

  2-Mercaptoimidazoles, a new class of potent CCR2 antagonists

  摘要：

  We describe the synthesis and SAR of a new class of CCR2 antagonists based on a 2-mercaptoimidazole scaffold. The initial lead 1a was optimized to the 3,4-disubstituted analogues 1p-(S) and 1q-(S), which have IC50 values in the MCP-1 induced Ca-flux below 0.01 muM. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.064

文献信息

• [EN] DIHYDROOXADIAZINONES<br/>[FR] DIHYDROOXADIAZINONES
  申请人：BAYER AG

  公开号：WO2019025562A1

  公开（公告）日：2019-02-07

  The present invention provides dihydrooxydiazinone compounds of general formula (I) : in which R1, R2, R3, and R4, are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular of hyperproliferative diseases, as a sole agent or in combination with other active ingredients.

  本发明提供了一般式(I)的二氢氧二氮酮化合物：其中R1、R2、R3和R4如本文所定义，制备所述化合物的方法，用于制备所述化合物的中间体化合物，包含所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是治疗或预防过度增殖性疾病，作为唯一药剂或与其他活性成分组合使用。
• [EN] MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS<br/>[FR] MERCAPTOIMIDAZOLES EN TANT QU'AGONISTES DU RECEPTEUR CCR2
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2004069809A1

  公开（公告）日：2004-08-19

  The present invention relates to a compound of formula (I),a N-oxide, a pharmaceutically acceptable addition salt, a quaternary amine and a stereochemically isomeric form thereof, wherein R1 is hydrogen, C1-6alkyl, C3-7cycloalkyl, aryl or heteroaryl; R2 is halo, C1-6alkyl, C1-6alkyloxy, C1-6alkylthio, polyhaloC1-6alkyl, polyhaloC1-6alkyloxy, cyano, aminocarbonyl, amino, mono-or di(C1-4alkyl)amino, nitro, aryl or aryloxy; R3 is hydrogen, cyano, C1-6alkyl optionally substituted with hydroxy, C(=O)-O-R5, C(=O)-NR6aR6b, S(=O)2-NR6aR6b, C(=O)-R7; R4 is hydrogen, cyano, C1-6alkyl optionally substituted with hydroxy, C(=O)-O-R5, C(=O)-NR6aR6b, S(=O)2-NR6aR6b, C(=O)-R7; n is 1, 2, 3, 4 or 5;provided that at least one of R3 or R4 is other than hydrogen; and that if R3 represents C(=O)-OH, C(=O)-O-C1-6alkyl or C(=O)-O-C2-6alkenyl, then R4 is other than hydrogen; and that if R3 represents CH2OH and R1 represents hydrogen, then R4 is other than hydrogen; and that if R3 represents C(=O)-NH-C1-4alkyl-NH2 and R1 represents hydrogen, then R4 is other than hydrogen; and that if R3 represents formula (II) and R1 represents hydrogen, then R4 is other than hydrogen; having CCR2 receptor antagonistic properties. The invention also relates to processes for preparing the compounds of formula (I) and pharmaceutical compositions comprising them.

  本发明涉及一种式(I)的化合物，一种N-氧化物，一种药学上可接受的加合盐，一种季铵盐及其立体化异构体，其中R1是氢，C1-6烷基，C3-7环烷基，芳基或杂环芳基；R2是卤素，C1-6烷基，C1-6烷氧基，C1-6烷硫基，多卤代C1-6烷基，多卤代C1-6烷氧基，氰基，氨基甲酰基，氨基，单或双(C1-4烷基)氨基，硝基，芳基或芳氧基；R3是氢，氰基，C1-6烷基，可选择地取代羟基的C(=O)-O-R5，C(=O)-NR6aR6b，S(=O)2-NR6aR6b，C(=O)-R7；R4是氢，氰基，C1-6烷基，可选择地取代羟基的C(=O)-O-R5，C(=O)-NR6aR6b，S(=O)2-NR6aR6b，C(=O)-R7；n为1、2、3、4或5；但要求R3或R4至少有一个不是氢；如果R3代表C(=O)-OH，C(=O)-O-C1-6烷基或C(=O)-O-C2-6烯基，则R4不是氢；如果R3代表CH2OH且R1代表氢，则R4不是氢；如果R3代表C(=O)-NH-C1-4烷基-NH2且R1代表氢，则R4不是氢；如果R3代表式(II)且R1代表氢，则R4不是氢；具有CCR2受体拮抗性质。该发明还涉及制备式(I)化合物的方法和包含其的药物组合物。
• [EN] DIHYDROOXADIAZINONES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES<br/>[FR] DIHYDROOXADIAZINONES POUR LE TRAITEMENT DE MALADIES HYPERPROLIFÉRATIVES
  申请人：BAYER AG

  公开号：WO2020157188A1

  公开（公告）日：2020-08-06

  The present invention provides dihydrooxydiazinone compounds of general formula (I) : (I), in which R1, R2, R3, and R4, are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular of hyperproliferative diseases, as a sole agent or in combination with other active ingredients.

  本发明提供了一种一般式(I)的二氢氧基噻唑烷衍生物：(I)，其中R1、R2、R3和R4如本文所定义，制备该化合物的方法，用于制备该化合物的中间体化合物，包含该化合物的药物组合物和制造用于治疗或预防疾病，特别是增殖过度性疾病的药物组合物的使用，作为唯一的活性成分或与其他活性成分结合使用。
• HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS
  申请人：Rodgers James D.

  公开号：US20110059951A1

  公开（公告）日：2011-03-10

  The present invention provides heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines, as well as their compositions and methods of use, that modulate the activity of Janus kinases (JAKs) and are useful in the treatment of diseases related to the activity of JAKs including, for example, inflammatory disorders, autoimmune disorders, cancer, and other diseases.

  本发明提供了吡唑-4-基-吡咯[2,3-d]嘧啶的杂环衍生物，以及它们的组合物和使用方法，可以调节Janus激酶（JAKs）的活性，并且在治疗与JAKs活性相关的疾病方面有用，例如炎症性疾病、自身免疫性疾病、癌症和其他疾病。
• Mercaptoimidazoles as ccr2 receptor antagonists
  申请人：Van Lommen Rosalia Eugeen Guy

  公开号：US20060058289A1

  公开（公告）日：2006-03-16

  The present invention relates to a compound of formula (I) having CCR2 receptor antagonistic properties, particularly anti-infflammatory properties.

  本发明涉及一种具有 CCR2 受体拮抗特性，特别是抗炎特性的式 (I) 化合物。