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81153-63-1,MFCD00221432
Catalog No.:AA004ZNN

81153-63-1 | Ethyl 3-methyl-1-phenylpyrazole-5-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$211.00   $148.00
- +
5g
97%
in stock  
$610.00   $427.00
- +
10g
97%
in stock  
$1,075.00   $753.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA004ZNN
Chemical Name:
Ethyl 3-methyl-1-phenylpyrazole-5-carboxylate
CAS Number:
81153-63-1
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD00221432
SMILES:
CCOC(=O)c1cc(nn1c1ccccc1)C
Properties
Properties
 
Form:
Solid  
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]CurrentPatentAssignee:BLADETHERAPEUTICSINC-WO2018/64119,2018,A1Locationinpatent:Paragraph0894;1307

[2]Deng,Xi-Le;Xie,Jin;Li,Yong-Qiang;Yuan,De-Kai;Hu,Xue-Ping;Zhang,Li;Wang,Qing-Min;Chi,Ming;Yang,Xin-Ling[ChineseChemicalLetters,2016,vol.27,#4,p.566-570]

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

[4]Locationinpatent:experimentalpartHu,Jun;Wang,Jikui;Zhou,Taoyu;Xu,Yanhua[JournalofChemicalResearch,2011,vol.35,#9,p.525-527]

[5]Chen,Yue;Fu,Xiao-Dong;Mu,Hai-Ping;Qin,Xiao-Fei;Wan,Rong[JournalofChemicalResearch,2014,vol.38,#5,p.272-279]

[6]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]

[7]Huang,Danling;Huang,Mingzhi;Liu,Weidong;Liu,Aiping;Liu,Xingping;Chen,Xiaoyang;Pei,Hui;Sun,Jiong;Yin,Dulin;Wang,Xiaoguang[ChemicalPapers,2017,vol.71,#11,p.2053-2061]

[8]Yan,Zhongzhong;Liu,Aiping;Huang,Mingzhi;Liu,Minhua;Pei,Hui;Huang,Lu;Yi,Haibo;Liu,Weidong;Hu,Aixi[EuropeanJournalofMedicinalChemistry,2018,vol.149,p.170-181]

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

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

[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]

81153-63-1    77-78-1   
3-ethoxycarbonyl-1,5-dimethyl-2-phenyl-pyrazoliumsulfate 

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

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

Literature
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