Name: Name:2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester
Brand: AABLOCKS
SKU: AA003PZ3
Rating: 90 (10 reviews)

Catalog No.: AA003PZ3

73781-88-1 | 2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester

Pack Size： 1g

Purity： 95%

in stock

$37.00 $26.00

Pack Size： 5g

Purity： 95%

in stock

$105.00 $74.00

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Technical Information

Catalog Number: AA003PZ3

Chemical Name: 2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester

CAS Number: 73781-88-1

Molecular Formula: C8H10N2O2S

Molecular Weight: 198.2422

MDL Number: MFCD07779178

SMILES: CCOC(=O)c1cnc(nc1)SC

Properties

BP: 313.5±15.0°C at 760 mmHg

Form: Solid

MP: 38-40℃

Storage: Keep in dry area;2-8℃;

Complexity: 170

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 13

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.4

59: 781E881

Upstream Synthesis Route

73781-88-1

57401-76-0

[1]Patent:WO2013/45280,2013,A1,

73781-88-1

38324-83-3

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

5909-24-0

73781-88-1

[1]Patent:US2016/333004,2016,A1,.Locationinpatent:Paragraph0385

[2]Patent:US2008/227826,2008,A1,.Locationinpatent:Page/Pagecolumn27-28

[3]Patent:WO2005/61465,2005,A1,.Locationinpatent:Page/Pagecolumn61

[4]Patent:WO2008/53131,2008,A1,.Locationinpatent:Page/Pagecolumn34-35

[5]Patent:WO2006/123121,2006,A1,.Locationinpatent:Page/Pagecolumn17;26

[6]JournalofMedicinalChemistry,2010,vol.53,#24,p.8663-8678

[7]ChemicalBiologyandDrugDesign,2016,vol.87,#3,p.472-477

[8]Patent:CN106279044,2017,A,.Locationinpatent:Paragraph0026;0030;0068;0069

[9]Patent:WO2012/117421,2012,A1,.Locationinpatent:Page/Pagecolumn44

[10]Patent:EP1724271,2006,A1,.Locationinpatent:Page/Pagecolumn91

[11]Patent:WO2007/118137,2007,A1,.Locationinpatent:Page/Pagecolumn104-105

[12]Patent:WO2016/30443,2016,A1,.Locationinpatent:Page/Pagecolumn155

[13]Patent:WO2017/144637,2017,A1,.Locationinpatent:Page/Pagecolumn87

[14]Patent:WO2017/144635,2017,A1,.Locationinpatent:Page/Pagecolumn51;52

6191-97-5

867-44-7

73781-88-1

[1]Patent:WO2007/55942,2007,A2,.Locationinpatent:Page/Pagecolumn63-65

10601-80-6

867-44-7

109-94-4

73781-88-1

[1]Patent:US2009/105264,2009,A1,.Locationinpatent:Page/Pagecolumn33

Downstream Synthesis Route

14527-26-5

2-(ethoxycarbonyl)-3-hydroxyacrolein

73781-88-1

[1]IlFarmaco,1993,vol.48,p.335-355

73781-88-1

110099-94-0

[1]ActachemicaScandinavica.SeriesB:Organicchemistryandbiochemistry,1986,vol.40,p.764-767

[2]Patent:US2010/210593,2010,A1.Locationinpatent:Page/Pagecolumn50

[3]Patent:EP2942346,2015,A1.Locationinpatent:Paragraph0191

[4]Patent:WO2017/176812,2017,A1.Locationinpatent:Paragraph0389

[5]JournalofChemicalResearch,2007,p.490-493

[6]Patent:KR2017/43091,2017,A.Locationinpatent:Paragraph0724-0727

[7]Patent:WO2005/61465,2005,A1.Locationinpatent:Page/Pagecolumn60-61

[8]IlFarmaco,1993,vol.48,p.335-355

73781-88-1

148550-51-0

[1]SyntheticCommunications,1993,vol.23,p.715-723

[2]Patent:WO2007/118137,2007,A1.Locationinpatent:Page/Pagecolumn105

[3]ChemicalBiologyandDrugDesign,2016,vol.87,p.472-477

[4]Patent:CN106279044,2017,A.Locationinpatent:Paragraph0026;0030;0070;0071

[5]Patent:WO2012/117421,2012,A1.Locationinpatent:Page/Pagecolumn44

[6]Patent:US2008/227826,2008,A1.Locationinpatent:Page/Pagecolumn27-28

[7]Patent:WO2008/53131,2008,A1.Locationinpatent:Page/Pagecolumn35

[8]Patent:WO2006/123121,2006,A1.Locationinpatent:Page/Pagecolumn17;26-27

[9]JournalofMedicinalChemistry,2010,vol.53,p.8663-8678

[10]Patent:US2016/333004,2016,A1.Locationinpatent:Paragraph0386

[11]Patent:WO2016/30443,2016,A1.Locationinpatent:Page/Pagecolumn155

[12]Patent:WO2017/144635,2017,A1.Locationinpatent:Page/Pagecolumn51;52

[13]Patent:US2009/105264,2009,A1.Locationinpatent:Page/Pagecolumn33

[14]Patent:WO2007/55942,2007,A2.Locationinpatent:Page/Pagecolumn63-65

[15]Patent:WO2017/144637,2017,A1.Locationinpatent:Page/Pagecolumn87

73781-88-1

38324-83-3

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

73781-88-1

110099-99-5

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

[2]Arukwe,Joseph;Undheim,Kjell[ActachemicaScandinavica.SeriesB:Organicchemistryandbiochemistry,1986,vol.40,#9,p.764-767]

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