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175137-35-6,MFCD00173868
Catalog No.:AA002098

175137-35-6 | Ethyl 2-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$27.00   $19.00
- +
5g
97%
in stock  
$113.00   $79.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002098
Chemical Name:
Ethyl 2-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate
CAS Number:
175137-35-6
Molecular Formula:
C13H10F3N3O4
Molecular Weight:
329.2314
MDL Number:
MFCD00173868
SMILES:
CCOC(=O)c1cnn(c1C(F)(F)F)c1ccc(cc1)[N+](=O)[O-]
Properties
Properties
 
Form:
Solid  

Computed Properties
 
Complexity:
447  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
8  
Rotatable Bond Count:
4  
XLogP3:
2.9  

Downstream Synthesis Route

[1]Jagadeesh,RajenahallyV.;Surkus,Annette-Enrica;Junge,Henrik;Pohl,Marga-Martina;Radnik,Joerg;Rabeah,Jabor;Huan,Heming;Schunemann,Volker;Brueckner,Angelika;Beller,Matthias[Science,2013,vol.342,#6162,p.1073-1076]

[2]Jagadeesh,RajenahallyV.;Banerjee,Debasis;Arockiam,PerciaBeatrice;Junge,Henrik;Junge,Kathrin;Pohl,Marga-Martina;Radnik,Jörg;Brückner,Angelika;Beller,Matthias[GreenChemistry,2015,vol.17,#2,p.898-902]

[3]Jagadeesh,RajenahallyV.;Natte,Kishore;Junge,Henrik;Beller,Matthias[ACSCatalysis,2015,vol.5,#3,p.1526-1529]

[4]CurrentPatentAssignee:UNIVERSITADEGLISTUDIDELPIEMONTEORIENTALEAME-WO2017/212414,2017,A1Locationinpatent:Page/Pagecolumn39

[5]Riva,Beatrice;Griglio,Alessia;Serafini,Marta;Cordero-Sanchez,Celia;Aprile,Silvio;DiPaola,Rosanna;Gugliandolo,Enrico;Alansary,Dalia;Biocotino,Isabella;Lim,Dmitry;Grosa,Giorgio;Galli,Ubaldina;Niemeyer,Barbara;Sorba,Giovanni;Canonico,PierLuigi;Cuzzocrea,Salvatore;Genazzani,ArmandoA.;Pirali,Tracey[JournalofMedicinalChemistry,2018,vol.61,#21,p.9756-9783]

[6]Aprile,Silvio;Riva,Beatrice;Bhela,IrenePreet;Cordero-Sanchez,Celia;Avino,Giulia;Genazzani,ArmandoA.;Serafini,Marta;Pirali,Tracey[ACSMedicinalChemistryLetters,2021,vol.12,#4,p.640-646]

[7]Locationinpatent:experimentalpartObermayer,David;Glasnov,TomaN.;Kappe,C.Oliver[JournalofOrganicChemistry,2011,vol.76,#16,p.6657-6669]

[8]Zhu,Kailong;Shaver,MichaelP.;Thomas,StephenP.[ChemicalScience,2016,vol.7,#5,p.3031-3035]

[9]Sahoo,Basudev;Formenti,Dario;Topf,Christoph;Bachmann,Stephan;Scalone,Michelangelo;Junge,Kathrin;Beller,Matthias[ChemSusChem,2017,vol.10,#15,p.3035-3039]

[10]CurrentPatentAssignee:ELILILLY&CO-US6569885,2003,B1

[11]Pedrajas,Elena;Sorribes,Iván;Gushchin,ArtemL.;Laricheva,YuliyaA.;Junge,Kathrin;Beller,Matthias;Llusar,Rosa[ChemCatChem,2017,vol.9,#6,p.1128-1134]

175137-35-6   
ethyl1-(4-(2,3,3-trichloroacrylamido)phenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate 

[1]Obermayer,David;Glasnov,TomaN.;Kappe,C.Oliver[JournalofOrganicChemistry,2011,vol.76,#16,p.6657-6669]

175137-35-6   
ethyl1-(4-(4-methyl-1,2,3-thiadiazole-5-carboxamido)phenyl)-5-(trifluoromethyl)-1Hpyrazole-4-carboxylate 

[1]Obermayer,David;Glasnov,TomaN.;Kappe,C.Oliver[JournalofOrganicChemistry,2011,vol.76,#16,p.6657-6669]

[1]JournalofOrganicChemistry,2011,vol.76,p.6657-6669

[2]ChemSusChem,2017,vol.10,p.3035-3039

ethyl(2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate 
  636-99-7    175137-35-6 

[1]Patent:WO2017/212414,2017,A1.Locationinpatent:Page/Pagecolumn39

[2]JournalofMedicinalChemistry,2018,vol.61,p.9756-9783

Literature
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Tags:175137-35-6 Molecular Formula|175137-35-6 MDL|175137-35-6 SMILES|175137-35-6 Ethyl 2-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate |Heterocyclic_Building_Blocks