2-chloro-1-(3-fluoro-4-hydroxy-phenyl)-ethanone | 850141-83-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-chloro-1-(3-fluoro-4-hydroxy-phenyl)-ethanone
• 英文别名: 2-Chlor-1-(3-fluor-4-hydroxy-phenyl)-aethanon；2-chloro-1-(3-fluoro-4-hydroxyphenyl)ethanone；2-Chloro-1-(3-fluoro-4-hydroxyphenyl)ethanone
• CAS: 850141-83-2
• 化学式: C₈H₆ClFO₂
• 分子量: 188.586
• InChiKey: ZSGJPJBMMXXVLL-UHFFFAOYSA-N

物化性质

• 熔点：
  101-102 °C
• 沸点：
  324.6±27.0 °C(Predicted)
• 密度：
  1.397±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-chloro-1-(3-fluoro-4-hydroxy-phenyl)-ethanone 、 1-(3-cyanophenyl)thiourea 以 乙醇 为溶剂， 生成 3-((4-(3-fluoro-4-hydroxyphenyl)thiazol-2-yl)amino)benzonitrile
  参考文献：
  名称：

  Synthesis and in-vitro evaluation of 2-amino-4-arylthiazole as inhibitor of 3D polymerase against foot-and-mouth disease (FMD)

  摘要：

  Foot-and-mouth disease (FMD) is a highly contagious vesicular disease of livestock caused by a highly variable RNA virus, foot-and-mouth disease virus (FMDV). One of the targets to suppress expansion of and to control FMD is 3D polymerase (FMDV 3Dpol). In this study, 2-amino-4-arylthiazole derivatives were synthesized and evaluated for their inhibitory activity against FMDV 3Dpol. Among them, compound 20i exhibited the most potent functional inhibition (IC50 = 039 mu M) of FMDV 3D polymerase and compound 24a (EC50 = 13.09 mu M) showed more potent antiviral activity than ribavirin (EC50 = 1367 mu M) and T1105 (EC50 = 347 mu M) with IBRS-2 cells infected by the FMDV O/SKR/2010 strain. (C) 2015 Published by Elsevier Masson SAS.

  DOI：

  10.1016/j.ejmech.2015.08.020
• 作为产物：
  描述：

  2-氟苯酚 在 二硫化碳 、 三氯化铝 、 氯化亚砜 作用下， 生成 2-chloro-1-(3-fluoro-4-hydroxy-phenyl)-ethanone
  参考文献：
  名称：

  Chloro and Fluoro Compounds Related to Adrenalone

  摘要：

  DOI：

  10.1021/ja01281a015

文献信息

• [EN] 1-'2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL!-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS<br/>[FR] COMPOSES DE 1-[2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL]-PIPERIDIN-4-OL EN TANT QU'ANTAGONISTES DU RECEPTEUR DU NMDA
  申请人：PFIZER JAPAN INC

  公开号：WO2005035522A1

  公开（公告）日：2005-04-21

  This invention provides a compound of the formula (I), wherein R1 and R2 independently represents a hydrogen atom or the like; R3 represents an aryl group having from 6 to 10 ring carbon or the like; said aryl groups having from 6 to 10 ring carbon atoms and said heteroaryl groups having from 5 to 10 atoms are unsubstituted or are substituted by at least one substituent selected from the group consisting of substituents a; said substituents a are selected from the group consisting of halogen atoms or the like; or a pharmaceutically acceptable ester of such compound, or a pharmaceutically acceptable salt thereof. These compounds are useful for the treatment of disease conditions caused by overactivation of NMDA NR2B receptor such of pain, or the like in mammalian. This invention also provides a pharmaceutical composition comprising the above compound.

  本发明提供了式(I)的化合物，其中R1和R2分别表示氢原子或类似物；R3表示具有6至10个环碳或类似物的芳基基团；所述芳基基团具有6至10个环碳原子和所述杂环芳基基团具有5至10个原子，未经取代或通过从取代基a的群组中选择至少一种取代基而被取代；所述取代基a被选择自卤素原子或类似物的群组；或该化合物的药学上可接受的酯或其药学上可接受的盐。这些化合物对于治疗由NMDA NR2B受体过度激活引起的疾病条件，如疼痛等在哺乳动物中很有用。本发明还提供了包含上述化合物的药物组合物。
• 1-'2-(4-Hydroxyphenyl)-2-hydroxyethyl!-piperidin-4-ol compounds as nmda receptor antagonists
  申请人：Ando Kazuo

  公开号：US20070021414A1

  公开（公告）日：2007-01-25

  This invention provides a compound of the formula (I), wherein R 1 and R 2 independently represents a hydrogen atom or the like; R 3 represents an aryl group having from 6 to 10 ring carbon or the like; said aryl groups having from 6 to 10 ring carbon atoms and said heteroaryl groups having from 5 to 10 atoms are unsubstituted or are substituted by at least one substituent selected from the group consisting of substituents a; said substituents a are selected from the group consisting of halogen atoms or the like; or a pharmaceutically acceptable ester of such compound, or a pharmaceutically acceptable salt thereof. These compounds are useful for the treatment of disease conditions caused by overactivation of NMDA NR2B receptor such of pain, or the like in mammalian. This invention also provides a pharmaceutical composition comprising the above compound.

  本发明提供了式(I)的化合物，其中R1和R2独立地表示氢原子或类似物；R3表示具有6至10个环碳或类似物的芳基基团；所述芳基基团具有6至10个环碳原子，所述杂环芳基基团具有5至10个原子，未被取代或被至少一种选择自取代物a的取代基组成的取代；所述取代基a是从卤原子或类似物的组中选择的；或其药学上可接受的酯或药学上可接受的盐。这些化合物对于治疗由NMDA NR2B受体过度激活引起的疾病状态如疼痛等在哺乳动物中具有用处。本发明还提供了包括上述化合物的制药组合物。
• 1-"2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL]-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS
  申请人：Pfizer, Inc.

  公开号：EP1673366A1

  公开（公告）日：2006-06-28
• Synthesis and in-vitro evaluation of 2-amino-4-arylthiazole as inhibitor of 3D polymerase against foot-and-mouth disease (FMD)
  作者：Kwi-wan Jeong、Jung-hun Lee、Sun-mi Park、Joo-Hyung Choi、Dae-Youn Jeong、Dong-Hwa Choi、Yeonju Nam、Jong-Hyeon Park、Kwang-Nyeong Lee、Su-Mi Kim、Jin-Mo Ku

  DOI：10.1016/j.ejmech.2015.08.020

  日期：2015.9

  Foot-and-mouth disease (FMD) is a highly contagious vesicular disease of livestock caused by a highly variable RNA virus, foot-and-mouth disease virus (FMDV). One of the targets to suppress expansion of and to control FMD is 3D polymerase (FMDV 3Dpol). In this study, 2-amino-4-arylthiazole derivatives were synthesized and evaluated for their inhibitory activity against FMDV 3Dpol. Among them, compound 20i exhibited the most potent functional inhibition (IC50 = 039 mu M) of FMDV 3D polymerase and compound 24a (EC50 = 13.09 mu M) showed more potent antiviral activity than ribavirin (EC50 = 1367 mu M) and T1105 (EC50 = 347 mu M) with IBRS-2 cells infected by the FMDV O/SKR/2010 strain. (C) 2015 Published by Elsevier Masson SAS.
• Chloro and Fluoro Compounds Related to Adrenalone
  作者：Harold L. Hansen

  DOI：10.1021/ja01281a015

  日期：1937.2