1-(4-Aminophenyl)-2,2,2-Trifluoroethanone 1-(4-氨基苯基)-2,2,2-三氟乙酮

CAS 23516-79-2 MFCD05663790

化学结构图

23516-79-2
SMILES: NC1=CC=C(C=C1)C(=O)C(F)(F)F

化学属性

Mol. FormulaC8H6F3NO
Mol. Weight189
Melting Point92-94°

别名和识别编码

Chemical Name1-(4-Aminophenyl)-2,2,2-Trifluoroethanone
CAS Number23516-79-2
Alfabeta NameAMINOPHENYLTRIFLUOROETHANONE 142221()------,,
MDL NumberMFCD05663790
Synonym 4-Aminophenyl Trifluoromethyl Ketone Ethanone, 1-(4-aminophenyl)-2,2,2-trifluoro- p-(Trifluoroacetyl)aniline 1-(4-Amino-phenyl)-2,2,2-trifluoro-ethanone 1-(4-aminophenyl)-2,2,2-trifluoroethan-1-one 1-4-Amino-phenyl-2,2,2-trifluoro-ethanone 1-(4-Aminophenyl)-2,2,2-trifluoroethanone 4'-Amino-2,2,2-trifluoroacetophenone
Chemical Name Translation1-(4-氨基苯基)-2,2,2-三氟乙酮
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分类

  • Amines, Building Blocks, C8 to C9, Chemical Synthesis, New Products for Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
  • {KO} Ketones
  • {KO} Anilines

产品应用

  • Novel trifluoroacetophenone derivatives as malonyl-CoA decarboxylase inhibitors.

相关文献及参考

  • Prip-Buus, C., et al.: Biochem. J., , 269, 409 (1990),
  • Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • McGarry, J., et al.: Eur. J. Biochem., 244, 1 (1997),
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D
  • Cheng, J., et al.: J. Med. Chem., 49, 1517 (2006),
  • {S

安全信息

Warnings IRRITANT

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
1
Rotatable Bonds
1
H-bond Donors
1
LogP
1

系列性分类

  1. C8 to C9 - Amines
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物

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