Home Fluorides 40657-29-2
40657-29-2,MFCD08273801
Catalog No.:AA00I7WJ

40657-29-2 | 4,4-Diethoxy-1,1,1-trifluorobut-3-en-2-one

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00I7WJ
Chemical Name:
4,4-Diethoxy-1,1,1-trifluorobut-3-en-2-one
CAS Number:
40657-29-2
Molecular Formula:
C8H11F3O3
Molecular Weight:
212.1663
MDL Number:
MFCD08273801
SMILES:
CCOC(=CC(=O)C(F)(F)F)OCC
Properties
Computed Properties
 
Complexity:
212  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
5  
XLogP3:
2.2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-WO2007/67836,2007,A2Locationinpatent:Page/Pagecolumn170-171

[2]CurrentPatentAssignee:FMCCORP-WO2020/242946,2020,A1Locationinpatent:Page/Pagecolumn29

[3]CurrentPatentAssignee:UNIVERSITYOFDUBLIN;THEUNIVERSITYOFQUEENSLAND-WO2016/131098,2016,A1Locationinpatent:Page/Pagecolumn140

[4]Hojo,Masaru;Masuda,Ryoichi;Okada,Etsuji[Synthesis,1986,#12,p.1013-1014]

[5]Locationinpatent:schemeortableBunescu,Alina;Reimann,Sebastian;Lubbe,Mathias;Spannenberg,Anke;Langer,Peter[JournalofOrganicChemistry,2009,vol.74,#14,p.5002-5010]

[6]Dutt,S.V.Arun;Rao,C.V.Chalapathi[JournalofFluorineChemistry,1996,vol.79,#1,p.7-8]

[7]CurrentPatentAssignee:AJAXTHERAPEUTICS-WO2021/226261,2021,A1Locationinpatent:Paragraph0289-0290

[1]Hojo,Masaru;Masuda,Ryoichi;Okada,Etsuji;Yamamoto,Hiromi;Morimoto,Katsushi;Okada,Ken[Synthesis,1990,#3,p.195-198]

[2]Martins,MarcosA.P.;Cunico,Wilson;Brondani,Sergio;Peres,RodrigoL.;Zimmermann,Nilo;Rosa,FernandaA.;Fiss,GabrielaF.;Zanatta,Nilo;Bonacorso,HelioG.[Synthesis,2006,#9,p.1485-1493]

[1]Narsaiah,B.;Sivaprasad,A.;Venkataratnam,R.V.[JournalofFluorineChemistry,1994,vol.66,#1,p.47-50]

40657-29-2    2743-40-0   
(E)-4-ethoxy-1,1,1-trifluoro-4-methyl(L)-leucinatebut-3-en-2-one 

[1]Synthesis,2006,p.1485-1493

[1]Martins,MarcosA.P.;Cunico,Wilson;Brondani,Sergio;Peres,RodrigoL.;Zimmermann,Nilo;Rosa,FernandaA.;Fiss,GabrielaF.;Zanatta,Nilo;Bonacorso,HelioG.[Synthesis,2006,#9,p.1485-1493]

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SDS
Tags:40657-29-2 Molecular Formula|40657-29-2 MDL|40657-29-2 SMILES|40657-29-2 4,4-Diethoxy-1,1,1-trifluorobut-3-en-2-one