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81153-64-2,MFCD00221427
Catalog No.:AA003AUU

81153-64-2 | Ethyl 5-methyl-1-phenylpyrazole-3-carboxylate

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250mg
95%
in stock  
$145.00   $102.00
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1g
95%
in stock  
$311.00   $218.00
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5g
95%
in stock  
$1,208.00   $846.00
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10g
95%
in stock  
$2,007.00   $1,405.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003AUU
Chemical Name:
Ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CAS Number:
81153-64-2
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD00221427
SMILES:
CCOC(=O)c1nn(c(c1)C)c1ccccc1
Properties
Properties
 
BP:
128-130°C/2.25mm  
Form:
Solid  
MP:
128 - 130°C  
Refractive Index:
1.568  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
264  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
4  
XLogP3:
2.8  

Downstream Synthesis Route

[1]EuropeanJournalofMedicinalChemistry,2017,vol.137,p.96-107

[2]JournalofHeterocyclicChemistry,2003,vol.40,p.773-782

[3]BioorganicandMedicinalChemistryLetters,2019,vol.29,p.525-528

[4]JournaloftheChemicalSociety,1958,p.3259,3262

[5]BioorganicandMedicinalChemistryLetters,2001,vol.11,p.2287-2290

[6]JournalofMedicinalChemistry,2013,vol.56,p.1573-1582

[7]EuropeanJournalofMedicinalChemistry,2016,vol.123,p.58-68

[8]Patent:WO2017/151786,2017,A1.Locationinpatent:Paragraph00267

[9]InternationalJournalofMolecularSciences,2019,vol.20

[10]JournalofMedicinalChemistry,2019

[1]Schmidt,Andreas;Muenster,Niels;Dreger,Andrij[AngewandteChemie-InternationalEdition,2010,vol.49,#15,p.2790-2793]

[2]CurrentPatentAssignee:BLADETHERAPEUTICSINC-WO2018/64119,2018,A1Locationinpatent:Paragraph0891

[3]Finar;Hurlock[JournaloftheChemicalSociety,1958,p.3259,3262]

[4]Kordik,CherylP.;Luo,Chi;Zanoni,BrianC.;Lovenberg,TimothyW.;Wilson,SandyJ.;Vaidya,AnilH.;Crooke,JeffreyJ.;Rosenthal,DanielI.;Reitz,AllenB.[BioorganicandMedicinalChemistryLetters,2001,vol.11,#17,p.2287-2290]

[5]Cascioferro,Stella;Maggio,Benedetta;Raffa,Demetrio;Raimondi,MariaValeria;Cusimano,MariaGrazia;Schillaci,Domenico;Manachini,Barbara;Plescia,Fabiana;Daidone,Giuseppe[EuropeanJournalofMedicinalChemistry,2016,vol.123,p.58-68]

[6]Li,Wei;Li,Jiuhui;Shen,Hongfeng;Cheng,Jiagao;Li,Zhong;Xu,Xiaoyong[ChineseChemicalLetters,2018,vol.29,#6,p.911-914]

[7]Zagni,Chiara;Rescifina,Antonio;Citarella,Andrea;Maugeri,Alessandro;Navarra,Michele;Scala,Angela;Piperno,Anna;Micale,Nicola;Oussama,Mahjoub[InternationalJournalofMolecularSciences,2019,vol.20,#4]

[1]Martins,MarcosA.P.;Freitag,RogerioA.;DaRosa,Adriano;Flores,AlexF.C.;Zanatta,Nilo;Bonacorso,HelioG.[JournalofHeterocyclicChemistry,1999,vol.36,#1,p.217-220]

[1]Schmidt,Andreas;Habeck,Tobias;Kindermann,MarkusKarl;Nieger,Martin[JournalofOrganicChemistry,2003,vol.68,#15,p.5977-5982]

[1]TetrahedronLetters,2015,vol.55,p.889-892

[2]TetrahedronLetters,2014,vol.55,p.889-892

[3]JournalofMedicinalChemistry,2019

Literature
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