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54401-85-3,MFCD00051830
Catalog No.:AA003Q8V

54401-85-3 | Ethyl 4-pyridylacetate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$21.00   $15.00
- +
5g
98%
in stock  
$84.00   $59.00
- +
25g
98%
in stock  
$328.00   $230.00
- +
100g
98%
in stock  
$1,048.00   $734.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003Q8V
Chemical Name:
Ethyl 4-pyridylacetate
CAS Number:
54401-85-3
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD00051830
SMILES:
CCOC(=O)Cc1ccncc1
Properties
Properties
 
BP:
252.5°C at 760 mmHg  
Form:
Liquid  
MP:
18-19 °C  
Refractive Index:
n20/D 1.499(lit.)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
142  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.7  

Upstream Synthesis Route

[1]HelveticaChimicaActa,1982,vol.65,#6,p.1868-1884

[2]MonatsheftefuerChemie,1957,vol.88,p.830,836

[3]Patent:US4968678,1990,A,

[4]Organometallics,2013,vol.32,#19,p.5581-5588

[5]JournalofMedicinalChemistry,2017,vol.60,#6,p.2573-2590

[1]TetrahedronLetters,1995,vol.36,#17,p.2963-2966

[1]Synlett,2008,#8,p.1125-1128

[2]Patent:WO2008/134474,2008,A2,.Locationinpatent:Page/Pagecolumn76

[3]Patent:WO2005/68472,2005,A1,.Locationinpatent:Page/Pagecolumn32

[4]Patent:WO2005/77907,2005,A1,.Locationinpatent:Page/Pagecolumn28

[5]JournalofLabelledCompoundsandRadiopharmaceuticals,2000,vol.43,#4,p.359-374

[6]BioorganicandMedicinalChemistryLetters,2007,vol.17,#5,p.1349-1354

[7]Patent:US6084098,2000,A,

[8]Patent:US5242924,1993,A,

[9]Patent:US5364865,1994,A,

[10]Patent:US2004/122018,2004,A1,.Locationinpatent:Page198

[11]Patent:EP1140909,2005,B1,.Locationinpatent:Page/Pagecolumn85

[12]JournalofMedicinalChemistry,2009,vol.52,#11,p.3523-3538

[1]EuropeanJournalofMedicinalChemistry,2010,vol.45,#11,p.4788-4796

[2]JournalofLabelledCompoundsandRadiopharmaceuticals,2016,vol.59,#14,p.665-672

[3]Patent:WO2004/101512,2004,A2,.Locationinpatent:Page87

[4]ChemMedChem,2015,vol.10,#11,p.1875-1883

[5]JournaloftheAmericanChemicalSociety,1953,vol.75,p.1933,1934

[6]ZhurnalObshcheiKhimii,1957,vol.27,p.72,75;engl.Ausg.S.83,85

[7]ZeitschriftfurNaturforschung-SectionBJournalofChemicalSciences,2011,vol.66,#5,p.505-511

[1]JournalofLabelledCompoundsandRadiopharmaceuticals,2000,vol.43,#4,p.359-374

Downstream Synthesis Route

[1]HelveticaChimicaActa,1982,vol.65,p.1868-1884

[2]MonatsheftefurChemie,1957,vol.88,p.830,836

[3]Patent:US4968678,1990,A

[4]Organometallics,2013,vol.32,p.5581-5588

[5]JournalofMedicinalChemistry,2017,vol.60,p.2573-2590

[1]JournalofMedicinalChemistry,1994,vol.37,p.364-370

[1]McCague,Raymond;Jarman,Michael;Rowlands,MartinG.;Mann,John;Thickitt,ChristopherP.;etal.[JournaloftheChemicalSociety.PerkintransactionsI,1989,p.196-198]

[2]CurrentPatentAssignee:BOSTONSCIENTIFICCORP-US5112976,1992,A

[3]Boss,AileenM.;Clissold,DerekW.;Mann,John;Markson,AndrewJ.;Thickitt,ChristopherP.[Tetrahedron,1989,vol.45,#18,p.6011-6017]

[1]Boss,AileenM.;Clissold,DerekW.;Mann,John;Markson,AndrewJ.;Thickitt,ChristopherP.[Tetrahedron,1989,vol.45,#18,p.6011-6017]

Literature
Quotation Request
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SDS
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Tags:54401-85-3 Molecular Formula|54401-85-3 MDL|54401-85-3 SMILES|54401-85-3 Ethyl 4-pyridylacetate
Catalog No.: AA003Q8V
54401-85-3,MFCD00051830
54401-85-3 | Ethyl 4-pyridylacetate
Pack Size： 1g
Purity： 98%
in stock
$21.00 $15.00
Pack Size： 5g
Purity： 98%
in stock
$84.00 $59.00
Pack Size： 25g
Purity： 98%
in stock
$328.00 $230.00
Pack Size： 100g
Purity： 98%
in stock
$1,048.00 $734.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA003Q8V
Chemical Name: Ethyl 4-pyridylacetate
CAS Number: 54401-85-3
Molecular Formula: C9H11NO2
Molecular Weight: 165.1891
MDL Number: MFCD00051830
SMILES: CCOC(=O)Cc1ccncc1
Properties
BP: 252.5°C at 760 mmHg  
Form: Liquid  
MP: 18-19 °C  
Refractive Index: n20/D 1.499(lit.)  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 142  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.7  
Upstream Synthesis Route
54401-85-3    5344-27-4 

[1]HelveticaChimicaActa,1982,vol.65,#6,p.1868-1884

[2]MonatsheftefuerChemie,1957,vol.88,p.830,836

[3]Patent:US4968678,1990,A,

[4]Organometallics,2013,vol.32,#19,p.5581-5588

[5]JournalofMedicinalChemistry,2017,vol.60,#6,p.2573-2590

54401-85-3    501-81-5    64-17-5 

[1]TetrahedronLetters,1995,vol.36,#17,p.2963-2966

54401-85-3    59184-90-6 

[1]Synlett,2008,#8,p.1125-1128

[2]Patent:WO2008/134474,2008,A2,.Locationinpatent:Page/Pagecolumn76

[3]Patent:WO2005/68472,2005,A1,.Locationinpatent:Page/Pagecolumn32

[4]Patent:WO2005/77907,2005,A1,.Locationinpatent:Page/Pagecolumn28

[5]JournalofLabelledCompoundsandRadiopharmaceuticals,2000,vol.43,#4,p.359-374

[6]BioorganicandMedicinalChemistryLetters,2007,vol.17,#5,p.1349-1354

[7]Patent:US6084098,2000,A,

[8]Patent:US5242924,1993,A,

[9]Patent:US5364865,1994,A,

[10]Patent:US2004/122018,2004,A1,.Locationinpatent:Page198

[11]Patent:EP1140909,2005,B1,.Locationinpatent:Page/Pagecolumn85

[12]JournalofMedicinalChemistry,2009,vol.52,#11,p.3523-3538

54401-85-3    69583-00-2 

[1]EuropeanJournalofMedicinalChemistry,2010,vol.45,#11,p.4788-4796

[2]JournalofLabelledCompoundsandRadiopharmaceuticals,2016,vol.59,#14,p.665-672

[3]Patent:WO2004/101512,2004,A2,.Locationinpatent:Page87

[4]ChemMedChem,2015,vol.10,#11,p.1875-1883

[5]JournaloftheAmericanChemicalSociety,1953,vol.75,p.1933,1934

[6]ZhurnalObshcheiKhimii,1957,vol.27,p.72,75;engl.Ausg.S.83,85

[7]ZeitschriftfurNaturforschung-SectionBJournalofChemicalSciences,2011,vol.66,#5,p.505-511

54401-85-3    130927-83-2 

[1]JournalofLabelledCompoundsandRadiopharmaceuticals,2000,vol.43,#4,p.359-374

Downstream Synthesis Route
54401-85-3    5344-27-4 

[1]HelveticaChimicaActa,1982,vol.65,p.1868-1884

[2]MonatsheftefurChemie,1957,vol.88,p.830,836

[3]Patent:US4968678,1990,A

[4]Organometallics,2013,vol.32,p.5581-5588

[5]JournalofMedicinalChemistry,2017,vol.60,p.2573-2590

54401-85-3    25017-13-4    1026338-26-0 

[1]JournalofMedicinalChemistry,1994,vol.37,p.364-370

54401-85-3    75-03-6    79-06-1    92788-10-8 

[1]McCague,Raymond;Jarman,Michael;Rowlands,MartinG.;Mann,John;Thickitt,ChristopherP.;etal.[JournaloftheChemicalSociety.PerkintransactionsI,1989,p.196-198]

[2]CurrentPatentAssignee:BOSTONSCIENTIFICCORP-US5112976,1992,A

[3]Boss,AileenM.;Clissold,DerekW.;Mann,John;Markson,AndrewJ.;Thickitt,ChristopherP.[Tetrahedron,1989,vol.45,#18,p.6011-6017]

54401-85-3    107-13-1    126651-39-6 

[1]Boss,AileenM.;Clissold,DerekW.;Mann,John;Markson,AndrewJ.;Thickitt,ChristopherP.[Tetrahedron,1989,vol.45,#18,p.6011-6017]

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