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571-55-1,MFCD02677683
Catalog No.:AA003Q18

571-55-1 | Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
80% +(isomers mixture)
in stock  
$11.00   $8.00
- +
25g
80% +(isomers mixture)
in stock  
$33.00   $23.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003Q18
Chemical Name:
Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate
CAS Number:
571-55-1
Molecular Formula:
C9H11F3O4
Molecular Weight:
240.1764
MDL Number:
MFCD02677683
SMILES:
CCO/C=C(\C(=O)C(F)(F)F)/C(=O)OCC
Properties
Properties
 
BP:
211.648°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
n20/D 1.429(lit.)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
294  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.1  

Upstream Synthesis Route

[1]Journalofmedicinalchemistry,2000,vol.43,#21,p.3995-4004

[2]Patent:US2018/170909,2018,A1,.Locationinpatent:Paragraph0824;0825

[3]Patent:CN106432183,2017,A,.Locationinpatent:Paragraph0031;0032

[4]Patent:WO2016/151403,2016,A1,.Locationinpatent:Paragraph00520

[5]JournalofMolecularStructure,2018,vol.1171,p.631-638

[6]TetrahedronLetters,2017,vol.58,#8,p.744-747

[7]Patent:CN107501182,2017,A,.Locationinpatent:Paragraph0032;0033;0040;0047;0054;0061;0068

[8]JournalofOrganicChemistry,2012,vol.77,#1,p.47-56

[9]Patent:US2010/305124,2010,A1,.Locationinpatent:Page/Pagecolumn16

[10]JournalofFluorineChemistry,2012,vol.136,p.38-42

[11]BioorganicandMedicinalChemistryLetters,2011,vol.21,#10,p.2877-2881

[12]JournaloftheAmericanChemicalSociety,1951,vol.73,p.3684

[13]ZeitschriftfurNaturforschung-SectionBJournalofChemicalSciences,2008,vol.63,#4,p.351-362

[14]Patent:US2010/69646,2010,A1,.Locationinpatent:Page/Pagecolumn8

[15]Molecules,2012,vol.17,#12,p.14205-14218

[16]Molecules,2015,vol.20,#3,p.4383-4394

[17]Patent:US2015/158808,2015,A1,.Locationinpatent:Paragraph0073-0074

[18]Patent:WO2015/85464,2015,A1,.Locationinpatent:Paragraph70

[19]Patent:CN105601618,2016,A,.Locationinpatent:Paragraph0029

[20]BioorganicandMedicinalChemistryLetters,2016,vol.26,#21,p.5203-5206

[21]ChineseChemicalLetters,2017,vol.28,#1,p.121-125

[22]ChineseChemicalLetters,2017,vol.28,#2,p.253-256

[23]JournalofHeterocyclicChemistry,2017,vol.54,#4,p.2319-2325

[24]JournalofHeterocyclicChemistry,2017,vol.54,#1,p.325-330

[25]Patent:CN106317025,2017,A,.Locationinpatent:Paragraph0023;0028;0029

[1]Patent:CN106336379,2017,A,.Locationinpatent:Paragraph0035;0036

[1]TetrahedronLetters,2017,vol.58,#8,p.744-747

[1]Patent:CN106234374,2016,A,.Locationinpatent:Paragraph0029

[1]RussianJournalofOrganicChemistry,2007,vol.43,#7,p.945-955

Downstream Synthesis Route

[1]Beck,JamesR.;Wright,FredL.[JournalofHeterocyclicChemistry,1987,vol.24,p.739-740]

[1]Beck,JamesR.;Wright,FredL.[JournalofHeterocyclicChemistry,1987,vol.24,p.739-740]

[2]Zeng,Huanan;Zhang,Wei;Wang,Zhengxing;Geng,Wang;Feng,Gang;Gan,Xiuhai[JournalofAgriculturalandFoodChemistry,2022,vol.70,#24,p.7400-7411]

[1]JournalofHeterocyclicChemistry,1987,vol.24,p.739-740

2645-07-0    571-55-1   
5-(4-nitro-benzoylamino)-6-oxo-2-trifluoromethyl-6<i>H</i>-pyran-3-carboxylicacidethylester 

[1]Gerus,IgorI.;Tolmachova,NataliyaA.;Vdovenko,SergeyI.;Froehlich,Roland;Haufe,Guenter[Synthesis,2005,#8,p.1269-1278]

[1]Palanki;Erdman;Gayo-Fung;Shevlin;Sullivan;Goldman;Ransone;Bennett;Manning;Suto[Journalofmedicinalchemistry,2000,vol.43,#21,p.3995-4004]

Literature
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SDS
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Tags:571-55-1 Molecular Formula|571-55-1 MDL|571-55-1 SMILES|571-55-1 Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate
Catalog No.: AA003Q18
571-55-1,MFCD02677683
571-55-1 | Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate
Pack Size： 5g
Purity： 80% +(isomers mixture)
in stock
$11.00 $8.00
Pack Size： 25g
Purity： 80% +(isomers mixture)
in stock
$33.00 $23.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003Q18
Chemical Name: Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate
CAS Number: 571-55-1
Molecular Formula: C9H11F3O4
Molecular Weight: 240.1764
MDL Number: MFCD02677683
SMILES: CCO/C=C(\C(=O)C(F)(F)F)/C(=O)OCC
Properties
BP: 211.648°C at 760 mmHg  
Form: Liquid  
Refractive Index: n20/D 1.429(lit.)  
Storage: Keep in dry area;2-8℃;  
Complexity: 294  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.1  
Upstream Synthesis Route
122-51-0    372-31-6    571-55-1 

[1]Journalofmedicinalchemistry,2000,vol.43,#21,p.3995-4004

[2]Patent:US2018/170909,2018,A1,.Locationinpatent:Paragraph0824;0825

[3]Patent:CN106432183,2017,A,.Locationinpatent:Paragraph0031;0032

[4]Patent:WO2016/151403,2016,A1,.Locationinpatent:Paragraph00520

[5]JournalofMolecularStructure,2018,vol.1171,p.631-638

[6]TetrahedronLetters,2017,vol.58,#8,p.744-747

[7]Patent:CN107501182,2017,A,.Locationinpatent:Paragraph0032;0033;0040;0047;0054;0061;0068

[8]JournalofOrganicChemistry,2012,vol.77,#1,p.47-56

[9]Patent:US2010/305124,2010,A1,.Locationinpatent:Page/Pagecolumn16

[10]JournalofFluorineChemistry,2012,vol.136,p.38-42

[11]BioorganicandMedicinalChemistryLetters,2011,vol.21,#10,p.2877-2881

[12]JournaloftheAmericanChemicalSociety,1951,vol.73,p.3684

[13]ZeitschriftfurNaturforschung-SectionBJournalofChemicalSciences,2008,vol.63,#4,p.351-362

[14]Patent:US2010/69646,2010,A1,.Locationinpatent:Page/Pagecolumn8

[15]Molecules,2012,vol.17,#12,p.14205-14218

[16]Molecules,2015,vol.20,#3,p.4383-4394

[17]Patent:US2015/158808,2015,A1,.Locationinpatent:Paragraph0073-0074

[18]Patent:WO2015/85464,2015,A1,.Locationinpatent:Paragraph70

[19]Patent:CN105601618,2016,A,.Locationinpatent:Paragraph0029

[20]BioorganicandMedicinalChemistryLetters,2016,vol.26,#21,p.5203-5206

[21]ChineseChemicalLetters,2017,vol.28,#1,p.121-125

[22]ChineseChemicalLetters,2017,vol.28,#2,p.253-256

[23]JournalofHeterocyclicChemistry,2017,vol.54,#4,p.2319-2325

[24]JournalofHeterocyclicChemistry,2017,vol.54,#1,p.325-330

[25]Patent:CN106317025,2017,A,.Locationinpatent:Paragraph0023;0028;0029

372-31-6    571-55-1 

[1]Patent:CN106336379,2017,A,.Locationinpatent:Paragraph0035;0036

122-51-0    372-31-6    571-55-1 

[1]TetrahedronLetters,2017,vol.58,#8,p.744-747

108-24-7    372-31-6    571-55-1 

[1]Patent:CN106234374,2016,A,.Locationinpatent:Paragraph0029

106260-08-6    122-51-0    571-55-1 

[1]RussianJournalofOrganicChemistry,2007,vol.43,#7,p.945-955

Downstream Synthesis Route
571-55-1    2312-23-4    112055-35-3 

[1]Beck,JamesR.;Wright,FredL.[JournalofHeterocyclicChemistry,1987,vol.24,p.739-740]

571-55-1    1073-70-7    112055-36-4 

[1]Beck,JamesR.;Wright,FredL.[JournalofHeterocyclicChemistry,1987,vol.24,p.739-740]

[2]Zeng,Huanan;Zhang,Wei;Wang,Zhengxing;Geng,Wang;Feng,Gang;Gan,Xiuhai[JournalofAgriculturalandFoodChemistry,2022,vol.70,#24,p.7400-7411]

571-55-1    3107-33-3    112055-37-5 

[1]JournalofHeterocyclicChemistry,1987,vol.24,p.739-740

2645-07-0    571-55-1   
5-(4-nitro-benzoylamino)-6-oxo-2-trifluoromethyl-6<i>H</i>-pyran-3-carboxylicacidethylester 

[1]Gerus,IgorI.;Tolmachova,NataliyaA.;Vdovenko,SergeyI.;Froehlich,Roland;Haufe,Guenter[Synthesis,2005,#8,p.1269-1278]

571-55-1    149771-24-4 

[1]Palanki;Erdman;Gayo-Fung;Shevlin;Sullivan;Goldman;Ransone;Bennett;Manning;Suto[Journalofmedicinalchemistry,2000,vol.43,#21,p.3995-4004]

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