Home Fluorides 57965-21-6
57965-21-6,MFCD03419769
Catalog No.:AA00EA2J

57965-21-6 | 4,4,4-Trifluoro-1-(3-methoxyphenyl)butane-1,3-dione

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100mg
97%
in stock  
$16.00   $11.00
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250mg
97%
in stock  
$38.00   $27.00
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1g
97%
in stock  
$62.00   $43.00
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5g
97%
in stock  
$125.00   $88.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00EA2J
Chemical Name:
4,4,4-Trifluoro-1-(3-methoxyphenyl)butane-1,3-dione
CAS Number:
57965-21-6
Molecular Formula:
C11H9F3O3
Molecular Weight:
246.1826
MDL Number:
MFCD03419769
SMILES:
COc1cccc(c1)C(=O)CC(=O)C(F)(F)F
Properties
Computed Properties
 
Complexity:
299  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
4  
XLogP3:
2.8  

Downstream Synthesis Route

[1]CurrentPatentAssignee:BAYERAG-US2003/232802,2003,A1Locationinpatent:Page20

[1]Locationinpatent:experimentalpartZhou,Chunmei;Zeng,Runsheng;Zou,Jianping[ChineseJournalofChemistry,2010,vol.28,#2,p.294-298]

[1]CurrentPatentAssignee:HEBEIUNIVERSITY-CN104974135,2017,BLocationinpatent:Paragraph0167

[2]Ziadi,Asraa;Uchida,Naoyuki;Kato,Hiroe;Hisamatsu,Rina;Sato,Ayato;Hagihara,Shinya;Itami,Kenichiro;Torii,KeikoU.[ChemicalCommunications,2017,vol.53,#69,p.9632-9635]

[3]Locationinpatent:experimentalpartGao,Mingzhang;Wang,Min;Miller,KathyD.;Zheng,Qi-Huang[EuropeanJournalofMedicinalChemistry,2011,vol.46,#9,p.4760-4767]

[4]Wang,Ning-Yu;Zuo,Wei-Qiong;Xu,Ying;Gao,Chao;Zeng,Xiu-Xiu;Zhang,Li-Dan;You,Xin-Yu;Peng,Cui-Ting;Shen,Yang;Yang,Sheng-Yong;Wei,Yu-Quan;Yu,Luo-Ting[BioorganicandMedicinalChemistryLetters,2014,vol.24,#6,p.1581-1588]

[5]Xing,Li-Juan;Lu,Tao;Fu,Wei-Li;Lou,Mei-Mei;Chen,Bo;Wang,Zhi-Shen;Jin,Yang;Li,Dan;Wang,Bin[AdvancedSynthesisandCatalysis,2015,vol.357,#14-15,p.3076-3080]

[6]Hauck,Stefanie;Hiesinger,Kerstin;KhagehHosseini,Sabrina;Achenbach,Janosch;Biondi,RicardoM.;Proschak,Ewgenij;Zörnig,Martin;Odadzic,Dalibor[BioorganicandMedicinalChemistry,2016,vol.24,#22,p.5717-5729]

[7]Stevenson,RalphJ.;Azimi,Iman;Flanagan,JackU.;Inserra,Marco;Vetter,Irina;Monteith,GregoryR.;Denny,WilliamA.[BioorganicandMedicinalChemistry,2018,vol.26,#12,p.3406-3413]

[1]Locationinpatent:experimentalpartGao,Mingzhang;Wang,Min;Miller,KathyD.;Zheng,Qi-Huang[EuropeanJournalofMedicinalChemistry,2011,vol.46,#9,p.4760-4767]

[1]Gao,Mingzhang;Wang,Min;Miller,KathyD.;Zheng,Qi-Huang[EuropeanJournalofMedicinalChemistry,2011,vol.46,#9,p.4760-4767]

Literature
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Tags:57965-21-6 Molecular Formula|57965-21-6 MDL|57965-21-6 SMILES|57965-21-6 4,4,4-Trifluoro-1-(3-methoxyphenyl)butane-1,3-dione