6436-59-5,MFCD00156148
Catalog No.:AA003Q25

6436-59-5 | Ethyl 2-methylthiazole-4-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$9.00   $7.00
- +
10g
97%
in stock  
$21.00   $15.00
- +
25g
97%
in stock  
$50.00   $35.00
- +
100g
97%
in stock  
$188.00   $132.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003Q25
Chemical Name:
Ethyl 2-methylthiazole-4-carboxylate
CAS Number:
6436-59-5
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD00156148
SMILES:
CCOC(=O)c1csc(n1)C
NSC Number:
159893
Properties
Properties
 
BP:
242.1°C at 760 mmHg  
Form:
Solid  
MP:
54-56°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
151  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

Upstream Synthesis Route

[1]EuropeanJournalofMedicinalChemistry,2017,vol.126,p.776-788

[2]Patent:US2007/105891,2007,A1,.Locationinpatent:Page/Pagecolumn10

[3]Patent:US2006/160857,2006,A1,.Locationinpatent:Page/Pagecolumn31

[4]ChemistryofHeterocyclicCompounds,2011,vol.47,#6,p.703-709

[5]Patent:WO2004/58702,2004,A2,.Locationinpatent:Page29;23

[1]BioorganicandMedicinalChemistryLetters,2002,vol.12,#8,p.1203-1208

[2]Patent:WO2011/106414,2011,A1,.Locationinpatent:Page/Pagecolumn83

[3]JournaloftheChemicalSociety,1946,p.91

[4]JournalofOrganicChemistry,2009,vol.74,#15,p.5750-5753

[5]JournaloftheAmericanChemicalSociety,2011,vol.133,#15,p.5900-5904

[1]JournalofOrganicChemistry,2009,vol.74,#15,p.5750-5753

[1]JournalofOrganicChemistry,1997,vol.62,#12,p.3804-3805

[2]OrganicLetters,2008,vol.10,#8,p.1565-1568

[3]JournalofOrganicChemistry,2001,vol.66,#19,p.6410-6424

[4]AngewandteChemie-InternationalEdition,2008,vol.47,#46,p.8950-8953

[5]Patent:US2010/249404,2010,A1,.Locationinpatent:Page/Pagecolumn11

[6]AdvancedSynthesisandCatalysis,2014,vol.356,#16,p.3370-3376

[7]TetrahedronLetters,2016,vol.57,#8,p.920-923

[8]EuropeanJournalofMedicinalChemistry,2016,vol.123,p.718-726

[9]TetrahedronLetters,1997,vol.38,#12,p.2061-2064

[10]ChemistryofHeterocyclicCompounds,2011,vol.47,#6,p.703-709

[11]JournalofOrganicChemistry,2004,vol.69,#26,p.9269-9284

[12]Proceedings-IndianAcademyofSciences,SectionA,1945,#22,p.362,376

[13]JournaloftheChemicalSociety,1946,p.91

[14]BioorganicandMedicinalChemistryLetters,2005,vol.15,#9,p.2243-2247

[15]Patent:WO2004/58702,2004,A2,.Locationinpatent:Page29;23

[16]Patent:WO2004/58763,2004,A1,.Locationinpatent:Page38-39

[17]Patent:EP1445249,2004,A1,.Locationinpatent:Page139

[18]Patent:EP1612204,2006,A1,.Locationinpatent:Page/Pagecolumn47

[19]OrganicLetters,2012,vol.14,#24,p.6354-6357

[1]TetrahedronLetters,1997,vol.38,#3,p.331-334

[2]JournaloftheChemicalSociety.Perkintransactions1,1966,vol.12,p.1061-1065

Downstream Synthesis Route

[1]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2005/77932,2005,A2Locationinpatent:Page/Pagecolumn169-170

[2]Jung,Jae-Chul;Kache,Rajashaker;Vines,KimberlyK.;Zheng,Yan-Song;Bijoy,Panicker;Valluri,Muralikrishna;Avery,MitchellA.[JournalofOrganicChemistry,2004,vol.69,#26,p.9269-9284]

[3]Nicolaou;Rhoades,Derek;Wang,Yanping;Bai,Ruoli;Hamel,Ernest;Aujay,Monette;Sandoval,Joseph;Gavrilyuk,Julia[JournaloftheAmericanChemicalSociety,2017,vol.139,#21,p.7318-7334]

[4]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2013/149362,2013,A1Locationinpatent:Page/Pagecolumn50

[5]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2013/289238,2013,A1Locationinpatent:Page/Pagecolumn

[6]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO;UNIVERSITYOFMONTREAL-WO2013/163279,2013,A1Locationinpatent:Paragraph00129

[7]Litzinger,ElizabethA.;Martasek,Pavel;Roman,LindaJ.;Silverman,RichardB.[BioorganicandMedicinalChemistry,2006,vol.14,#9,p.3185-3198]

[8]Bagley,MarkC.;Dale,JamesW.;Xiong,Xin;Bower,Justin[OrganicLetters,2003,vol.5,#23,p.4421-4424]

[9]Bagley,MarkC.;Dale,JamesW.;Jenkins,RobertL.;Bower,Justin[ChemicalCommunications,2004,#1,p.102-103]

[10]CurrentPatentAssignee:ASTRAZENECAPLC-US6479527,2002,B1

[11]CurrentPatentAssignee:ASTRAZENECAPLC-EP1056451,2002,B1

[12]Zubarovskii,V.M.;Moskaleva,R.N.[JournalofgeneralchemistryoftheUSSR,1962,vol.32,p.560-564][ZhurnalObshcheiKhimii,1961,vol.32,p.570-575]

[13]Ciufolini,MarcoA.;Shen,YongChun[JournalofOrganicChemistry,1997,vol.62,#12,p.3804-3805]

[1]BioorganicandMedicinalChemistry,2001,vol.9,p.1-6

[2]Patent:WO2010/20556,2010,A1.Locationinpatent:Page/Pagecolumn156

[3]Patent:US2006/122256,2006,A1.Locationinpatent:Page/Pagecolumn21

[4]Patent:US2004/266856,2004,A1.Locationinpatent:Page/Pagecolumn19

[5]Patent:US2020/123117,2020,A1.Locationinpatent:Paragraph1108;1109

[6]LiebigsAnnalenderChemie,1981,p.623-632

[7]Bioorganicandmedicinalchemistryletters,2002,vol.12,p.2443-2446

[8]Patent:US6162808,2000,A

[9]Patent:EP1612204,2006,A1.Locationinpatent:Page/Pagecolumn47

[10]Patent:US2012/184521,2012,A1.Locationinpatent:Page/Pagecolumn23

[1]LiebigsAnnalenderChemie,1981,p.623-632

[1]Cowden;Sullivan;Brown[AustralianJournalofChemistry,1985,vol.38,#8,p.1257-1261]

[2]CurrentPatentAssignee:ASTELLASPHARMAINC.-WO2013/50424,2013,A1Locationinpatent:Page/Pagecolumn112-113;138-139

[3]Hoveyda,HamidR.;Fraser,GraemeL.;Roy,Marie-Odile;Dutheuil,Guillaume;Batt,Frédéric;ElBousmaqui,Mohamed;Korac,Julien;Lenoir,François;Lapin,Alexey;Noël,Sophie;Blanc,Sébastien[JournalofMedicinalChemistry,2015,vol.58,#7,p.3060-3082]

[4]CurrentPatentAssignee:TENAYATHERAPEUTICSINC-WO2021/127643,2021,A1Locationinpatent:Paragraph00502-00503

Literature
Quotation Request
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Additional Info:
SDS
Tags:6436-59-5 Molecular Formula|6436-59-5 MDL|6436-59-5 SMILES|6436-59-5 Ethyl 2-methylthiazole-4-carboxylate
Catalog No.: AA003Q25
6436-59-5,MFCD00156148
6436-59-5 | Ethyl 2-methylthiazole-4-carboxylate
Pack Size: 1g
Purity: 97%
in stock
$9.00 $7.00
Pack Size: 10g
Purity: 97%
in stock
$21.00 $15.00
Pack Size: 25g
Purity: 97%
in stock
$50.00 $35.00
Pack Size: 100g
Purity: 97%
in stock
$188.00 $132.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003Q25
Chemical Name: Ethyl 2-methylthiazole-4-carboxylate
CAS Number: 6436-59-5
Molecular Formula: C7H9NO2S
Molecular Weight: 171.2169
MDL Number: MFCD00156148
SMILES: CCOC(=O)c1csc(n1)C
NSC Number: 159893
Properties
BP: 242.1°C at 760 mmHg  
Form: Solid  
MP: 54-56°C  
Storage: Keep in dry area;Room Temperature;  
Complexity: 151  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
Upstream Synthesis Route
6436-59-5    35272-15-2 

[1]EuropeanJournalofMedicinalChemistry,2017,vol.126,p.776-788

[2]Patent:US2007/105891,2007,A1,.Locationinpatent:Page/Pagecolumn10

[3]Patent:US2006/160857,2006,A1,.Locationinpatent:Page/Pagecolumn31

[4]ChemistryofHeterocyclicCompounds,2011,vol.47,#6,p.703-709

[5]Patent:WO2004/58702,2004,A2,.Locationinpatent:Page29;23

6436-59-5    31825-95-3 

[1]BioorganicandMedicinalChemistryLetters,2002,vol.12,#8,p.1203-1208

[2]Patent:WO2011/106414,2011,A1,.Locationinpatent:Page/Pagecolumn83

[3]JournaloftheChemicalSociety,1946,p.91

[4]JournalofOrganicChemistry,2009,vol.74,#15,p.5750-5753

[5]JournaloftheAmericanChemicalSociety,2011,vol.133,#15,p.5900-5904

6436-59-5    14527-43-6    73956-17-9 

[1]JournalofOrganicChemistry,2009,vol.74,#15,p.5750-5753

70-23-5    62-55-5    6436-59-5 

[1]JournalofOrganicChemistry,1997,vol.62,#12,p.3804-3805

[2]OrganicLetters,2008,vol.10,#8,p.1565-1568

[3]JournalofOrganicChemistry,2001,vol.66,#19,p.6410-6424

[4]AngewandteChemie-InternationalEdition,2008,vol.47,#46,p.8950-8953

[5]Patent:US2010/249404,2010,A1,.Locationinpatent:Page/Pagecolumn11

[6]AdvancedSynthesisandCatalysis,2014,vol.356,#16,p.3370-3376

[7]TetrahedronLetters,2016,vol.57,#8,p.920-923

[8]EuropeanJournalofMedicinalChemistry,2016,vol.123,p.718-726

[9]TetrahedronLetters,1997,vol.38,#12,p.2061-2064

[10]ChemistryofHeterocyclicCompounds,2011,vol.47,#6,p.703-709

[11]JournalofOrganicChemistry,2004,vol.69,#26,p.9269-9284

[12]Proceedings-IndianAcademyofSciences,SectionA,1945,#22,p.362,376

[13]JournaloftheChemicalSociety,1946,p.91

[14]BioorganicandMedicinalChemistryLetters,2005,vol.15,#9,p.2243-2247

[15]Patent:WO2004/58702,2004,A2,.Locationinpatent:Page29;23

[16]Patent:WO2004/58763,2004,A1,.Locationinpatent:Page38-39

[17]Patent:EP1445249,2004,A1,.Locationinpatent:Page139

[18]Patent:EP1612204,2006,A1,.Locationinpatent:Page/Pagecolumn47

[19]OrganicLetters,2012,vol.14,#24,p.6354-6357

6436-57-3    6436-59-5 

[1]TetrahedronLetters,1997,vol.38,#3,p.331-334

[2]JournaloftheChemicalSociety.Perkintransactions1,1966,vol.12,p.1061-1065

Downstream Synthesis Route
6436-59-5    76632-23-0 

[1]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-WO2005/77932,2005,A2Locationinpatent:Page/Pagecolumn169-170

[2]Jung,Jae-Chul;Kache,Rajashaker;Vines,KimberlyK.;Zheng,Yan-Song;Bijoy,Panicker;Valluri,Muralikrishna;Avery,MitchellA.[JournalofOrganicChemistry,2004,vol.69,#26,p.9269-9284]

[3]Nicolaou;Rhoades,Derek;Wang,Yanping;Bai,Ruoli;Hamel,Ernest;Aujay,Monette;Sandoval,Joseph;Gavrilyuk,Julia[JournaloftheAmericanChemicalSociety,2017,vol.139,#21,p.7318-7334]

[4]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2013/149362,2013,A1Locationinpatent:Page/Pagecolumn50

[5]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2013/289238,2013,A1Locationinpatent:Page/Pagecolumn

[6]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO;UNIVERSITYOFMONTREAL-WO2013/163279,2013,A1Locationinpatent:Paragraph00129

[7]Litzinger,ElizabethA.;Martasek,Pavel;Roman,LindaJ.;Silverman,RichardB.[BioorganicandMedicinalChemistry,2006,vol.14,#9,p.3185-3198]

[8]Bagley,MarkC.;Dale,JamesW.;Xiong,Xin;Bower,Justin[OrganicLetters,2003,vol.5,#23,p.4421-4424]

[9]Bagley,MarkC.;Dale,JamesW.;Jenkins,RobertL.;Bower,Justin[ChemicalCommunications,2004,#1,p.102-103]

[10]CurrentPatentAssignee:ASTRAZENECAPLC-US6479527,2002,B1

[11]CurrentPatentAssignee:ASTRAZENECAPLC-EP1056451,2002,B1

[12]Zubarovskii,V.M.;Moskaleva,R.N.[JournalofgeneralchemistryoftheUSSR,1962,vol.32,p.560-564][ZhurnalObshcheiKhimii,1961,vol.32,p.570-575]

[13]Ciufolini,MarcoA.;Shen,YongChun[JournalofOrganicChemistry,1997,vol.62,#12,p.3804-3805]

6436-59-5    78502-71-3 

[1]BioorganicandMedicinalChemistry,2001,vol.9,p.1-6

[2]Patent:WO2010/20556,2010,A1.Locationinpatent:Page/Pagecolumn156

[3]Patent:US2006/122256,2006,A1.Locationinpatent:Page/Pagecolumn21

[4]Patent:US2004/266856,2004,A1.Locationinpatent:Page/Pagecolumn19

[5]Patent:US2020/123117,2020,A1.Locationinpatent:Paragraph1108;1109

[6]LiebigsAnnalenderChemie,1981,p.623-632

[7]Bioorganicandmedicinalchemistryletters,2002,vol.12,p.2443-2446

[8]Patent:US6162808,2000,A

[9]Patent:EP1612204,2006,A1.Locationinpatent:Page/Pagecolumn47

[10]Patent:US2012/184521,2012,A1.Locationinpatent:Page/Pagecolumn23

6436-59-5    78502-71-3    78502-72-4    78502-73-5 

[1]LiebigsAnnalenderChemie,1981,p.623-632

6436-59-5    101767-28-6 

[1]Cowden;Sullivan;Brown[AustralianJournalofChemistry,1985,vol.38,#8,p.1257-1261]

[2]CurrentPatentAssignee:ASTELLASPHARMAINC.-WO2013/50424,2013,A1Locationinpatent:Page/Pagecolumn112-113;138-139

[3]Hoveyda,HamidR.;Fraser,GraemeL.;Roy,Marie-Odile;Dutheuil,Guillaume;Batt,Frédéric;ElBousmaqui,Mohamed;Korac,Julien;Lenoir,François;Lapin,Alexey;Noël,Sophie;Blanc,Sébastien[JournalofMedicinalChemistry,2015,vol.58,#7,p.3060-3082]

[4]CurrentPatentAssignee:TENAYATHERAPEUTICSINC-WO2021/127643,2021,A1Locationinpatent:Paragraph00502-00503

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