2-氨基-2',4'-二氟苯乙酮 | 643029-92-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-氨基-2',4'-二氟苯乙酮
• 中文别名: 2-氨基-2’,4’-二氟苯乙酮
• 英文名称: α-amino-2,4-difluoroacetophenone
• 英文别名: 2-Amino-1-(2,4-difluorophenyl)ethanone
• CAS: 643029-92-9
• 化学式: C₈H₇F₂NO
• 分子量: 171.146
• InChiKey: ZATXLIJNSXGMBG-UHFFFAOYSA-N

物化性质

• 沸点：
  255.9±30.0 °C(Predicted)
• 密度：
  1.286±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 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：
  43.1
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi

反应信息

• 作为反应物：
  描述：

  1H-1,2,4-三唑 、 2-氨基-2',4'-二氟苯乙酮 在 sodium sulfite 作用下， 以 硝基甲烷 、 正己烷 为溶剂， 反应 9.0h， 以91%的产率得到2'4'-二氟-2-[1-(1H-1,2,4-三唑基)]苯乙酮
  参考文献：
  名称：

  一种氟康唑药物中间体2，4-二氯-α-（1H-1,2,4-三唑-1-基）苯乙酮的合成方法

  摘要：

  一种氟康唑药物中间体2，4-二氯-α-(1H-1,2,4-三唑-1-基)苯乙酮的合成方法，包括如下步骤：在安装有搅拌器、回流冷凝器、温度计的反应容器中，加入1H-1,2,4-三唑0.21mol,己烷0.11mol,亚硫酸钠0.16mol,硝基甲烷130ml,控制搅拌速度130—160rpm,降低溶液温度至5--9℃，滴加α-氨基-2,4-二氟苯乙酮0.26—0.29mol,加完后升高溶液温度至40--45℃，反应8—9h,过滤，溶液减压蒸馏，回收溶剂，加入700ml溴化钠溶液，草酸300ml,搅拌直到固体全部溶解，静置后分出油层，水层用甲苯提取3—5次，加入硫酸氢钾调节溶液pH为4—5，析出白色固体，抽滤，盐溶液洗涤，硝基乙烷洗涤，脱水剂脱水，在对二甲苯中重结晶，得晶体2，4-二氯-α-(1H-1,2,4-三唑-1-基)苯乙酮。

  公开号：

  CN105541739A

文献信息

• A Novel and Efficient Strategy for the Preparation of 2,4-Disubstituted-1,2,3-triazoles
  作者：Yun Luo、Yongzhou Hu

  DOI：10.1081/scc-120024731

  日期：2003.10

  Abstract We have developed a novel and efficient method for the preparation of 2,4-disubstituted-1,2,3-triazoles. These compounds 3a–3p were synthesized in good yield by refluxing α-aminoacetophenones and hydrazines in glacial acetic acid. The reaction proceeds under mild conditions and is compatible with various functional groups.

  摘要 我们开发了一种新型有效的制备 2,4-二取代-1,2,3-三唑的方法。这些化合物 3a-3p 通过在冰醋酸中回流 α-氨基苯乙酮和肼以良好的收率合成。该反应在温和的条件下进行，并与各种官能团相容。
• Imidazole and thiazole compositions for modifying biological signaling
  申请人：Ohio University

  公开号：US10023567B2

  公开（公告）日：2018-07-17

  Compounds having General Formula (I) or General Formula (II): in which R1 is chosen from C1 to C10 aliphatic or heteroaliphatic groups, optionally substituted with one or more aryl groups, substituted aryl groups, heteroaryl groups, substituted heteroaryl groups, or combination thereof; R2 is chosen from aromatic moieties, substituted aromatic moieties, heteroaromatic moieties substituted heteroaromatic moieties, and coumarin; R3 is chosen from —H, C1 to C10 aliphatic or heteroaliphatic groups, phenyl, or substituted phenyl, wherein the aliphatic or heteroaliphatic groups are optionally substituted with one or more phenyl groups, aryl groups, heteroaryl groups, substituted heteroaryl groups, or combination thereof, and wherein the aliphatic or heteroaliphatic groups are optionally bonded to R2 to form a ring; X is S or O; and Y is S or NH, may be used in pharmaceutical compositions that modify of biological signaling processes or as reagents for biological assays.

  具有通式(I)或通式(II)的化合物：其中 R1 选自 C1 至 C10 脂肪族或杂脂肪族基团，任选被一个或多个芳基、取代芳基、杂芳基、取代杂芳基或其组合取代；R2 选自芳香族基团、取代芳香族基团、杂芳香族基团、取代杂芳香族基团和香豆素；R3 选自-H、C1 至 C10 脂肪族或杂脂肪族基团、苯基或取代苯基，其中脂肪族或杂脂肪族基团可选择被一个或多个苯基、芳基、杂芳基、取代杂芳基或其组合取代，并且其中脂肪族或杂脂肪族基团可选择与 R2 键合形成环；X 是 S 或 O；Y 是 S 或 NH，可用于改变生物信号转导过程的药物组合物或用作生物检测试剂。
• Prevention and treatment of non-alcoholic fatty liver disease
  申请人：Ohio University

  公开号：US10392381B2

  公开（公告）日：2019-08-27

  Methods for preventing, treating, and/or reducing the risk of developing non-alcoholic fatty liver disease in a subject in need thereof and pharmaceutical compositions for the prevention or treatment of non-alcoholic fatty liver disease. Methods for inhibiting excessive accumulation of fat in liver tissue. The methods include administering to the subject or contacting the liver tissue with a therapeutically effective amount of at least one compound of General Formula (I) or General Formula (II): or pharmaceutically-acceptable salts or solvates thereof. The pharmaceutical composition includes at least one compound of the General Formula (I) or the General Formula (II) for administration to a subject for the prevention or treatment of non-alcoholic fatty liver disease.

  预防、治疗和/或降低有需要者患非酒精性脂肪肝风险的方法，以及预防或治疗非酒精性脂肪肝的药物组合物。抑制脂肪在肝组织中过度积累的方法。这些方法包括向受试者施用或用治疗有效量的至少一种通式（I）或通式（II）化合物：或其药学上可接受的盐或溶解物接触肝组织。药物组合物包括至少一种通式(I)或通式(II)化合物，用于给受试者用药，以预防或治疗非酒精性脂肪肝。
• PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE
  申请人：Ohio University

  公开号：US20170196845A1

  公开（公告）日：2017-07-13

  Methods for preventing, treating, and/or reducing the risk of developing non-alcoholic fatty liver disease in a subject in need thereof and pharmaceutical compositions for the prevention or treatment of non-alcoholic fatty liver disease. Methods for inhibiting excessive accumulation of fat in liver tissue. The methods include administering to the subject or contacting the liver tissue with a therapeutically effective amount of at least one compound of General Formula (I) or General Formula (II): or pharmaceutically-acceptable salts or solvates thereof. The pharmaceutical composition includes at least one compound of the General Formula (I) or the General Formula (II) for administration to a subject for the prevention or treatment of non-alcoholic fatty liver disease.
• METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY
  申请人：Ohio University

  公开号：US20170202818A1

  公开（公告）日：2017-07-20

  Methods for modulating GSK-3 activity and methods for treating a GSK-3-mediated disorder in a subject in need thereof. The methods include contacting a cell expressing GSK-3 with or administering to the subject in need a therapeutically effective amount of one or more compounds of General Formula (I) or General Formula (II): or pharmaceutically-acceptable salts or solvates thereof.