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3854-50-0,MFCD05864378
Catalog No.:AA00C7UP

3854-50-0 | Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutanoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
1 week  
$424.00   $297.00
- +
5g
95%
1 week  
$1,078.00   $755.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00C7UP
Chemical Name:
Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutanoate
CAS Number:
3854-50-0
Molecular Formula:
C8H11F3O3
Molecular Weight:
212.1663
MDL Number:
MFCD05864378
SMILES:
CCC(C(=O)C(F)(F)F)C(=O)OCC
Properties
Properties
 
Form:
Liquid  

Computed Properties
 
Complexity:
222  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.4  

Downstream Synthesis Route

[1]CurrentPatentAssignee:JIANGSUZHONGDANPHARMACEUTICALRESEARCHCO.,LTD;JIANGSUZHONGDANGROUPCOLTD-CN103214355,2016,BLocationinpatent:Paragraph0074

[2]Burdon,J.;McLoughlin,V.C.R.[Tetrahedron,1964,vol.20,p.2162-2166]

[1]Yakimovich,S.I.;Zerova,I.V.[JournalofOrganicChemistryUSSR(EnglishTranslation),1983,p.1048-1053][ZhurnalOrganicheskoiKhimii,1983,vol.19,#6,p.1175-1181]

(E)-2-Ethyl-4,4,4-trifluoro-3-trimethylsilanyloxy-but-2-enoicacidethylester 
  3854-50-0 

[1]Simchen,Gerhard;Schmidt,Andreas[Synthesis,1997,#1,p.117-120]

40366-93-6    3854-50-0   
5-ethyl-2-phenyl-3-(prop-2-enyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone 

[1]Tice;Bryman[Tetrahedron,2001,vol.57,#14,p.2689-2700]

[1]Tice;Bryman[Tetrahedron,2001,vol.57,#14,p.2689-2700]

Literature

Title: Ethyl 6-(4-fluoro-phen-yl)-4-hy-droxy-2-oxo-4-trifluoro-meth-yl-1,3-diazinane-5-carboxyl-ate monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20110701

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SDS
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Tags:3854-50-0 Molecular Formula|3854-50-0 MDL|3854-50-0 SMILES|3854-50-0 Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutanoate
Catalog No.: AA00C7UP
3854-50-0,MFCD05864378
3854-50-0 | Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutanoate
Pack Size： 1g
Purity： 95%
1 week
$424.00 $297.00
Pack Size： 5g
Purity： 95%
1 week
$1,078.00 $755.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00C7UP
Chemical Name: Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutanoate
CAS Number: 3854-50-0
Molecular Formula: C8H11F3O3
Molecular Weight: 212.1663
MDL Number: MFCD05864378
SMILES: CCC(C(=O)C(F)(F)F)C(=O)OCC
Properties
Form: Liquid  
Complexity: 222  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
Downstream Synthesis Route
3854-50-0    383-56-2 

[1]CurrentPatentAssignee:JIANGSUZHONGDANPHARMACEUTICALRESEARCHCO.,LTD;JIANGSUZHONGDANGROUPCOLTD-CN103214355,2016,BLocationinpatent:Paragraph0074

[2]Burdon,J.;McLoughlin,V.C.R.[Tetrahedron,1964,vol.20,p.2162-2166]

3854-50-0    57-14-7    86808-99-3 

[1]Yakimovich,S.I.;Zerova,I.V.[JournalofOrganicChemistryUSSR(EnglishTranslation),1983,p.1048-1053][ZhurnalOrganicheskoiKhimii,1983,vol.19,#6,p.1175-1181]

(E)-2-Ethyl-4,4,4-trifluoro-3-trimethylsilanyloxy-but-2-enoicacidethylester 
  3854-50-0 

[1]Simchen,Gerhard;Schmidt,Andreas[Synthesis,1997,#1,p.117-120]

40366-93-6    3854-50-0   
5-ethyl-2-phenyl-3-(prop-2-enyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone 

[1]Tice;Bryman[Tetrahedron,2001,vol.57,#14,p.2689-2700]

1670-14-0    3854-50-0    346709-64-6 

[1]Tice;Bryman[Tetrahedron,2001,vol.57,#14,p.2689-2700]

Literature fold

Title: Ethyl 6-(4-fluoro-phen-yl)-4-hy-droxy-2-oxo-4-trifluoro-meth-yl-1,3-diazinane-5-carboxyl-ate monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online20110701

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