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4077-76-3,MFCD00975602
Catalog No.:AA0034OI

4077-76-3 | Dimethyl 1H-pyrazole-3,5-dicarboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$7.00   $5.00
- +
1g
98%
in stock  
$9.00   $7.00
- +
5g
98%
in stock  
$12.00   $8.00
- +
10g
98%
in stock  
$18.00   $13.00
- +
25g
98%
in stock  
$38.00   $27.00
- +
100g
98%
in stock  
$151.00   $106.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0034OI
Chemical Name:
Dimethyl 1H-pyrazole-3,5-dicarboxylate
CAS Number:
4077-76-3
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
MDL Number:
MFCD00975602
SMILES:
COC(=O)c1[nH]nc(c1)C(=O)OC
Properties
Properties
 
BP:
344°C at 760 mmHg  
Form:
Solid  
MP:
151-152℃  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
219  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
0.6  

Upstream Synthesis Route

[1]JournalofMedicinalChemistry,1997,vol.40,#12,p.1779-1788

[2]JournalofOrganicChemistry,1999,vol.64,#21,p.7751-7755

[3]AsianJournalofChemistry,2015,vol.27,#7,p.2545-2547

[4]RussianJournalofOrganicChemistry,2016,vol.52,#9,p.1322-1325

[5]Zh.Org.Khim.,2016,vol.52,#9,p.1334-1337,4

[6]ChemischeBerichte,1894,vol.27,p.1097

[7]JournalfuerPraktischeChemie(Leipzig),1895,vol.<2>52,p.47

[8]JournalfuerPraktischeChemie(Leipzig),1895,vol.<2>52,p.47

[9]JournalofStructuralChemistry,2003,vol.44,#2,p.314-317

[10]Patent:EP1433788,2004,A1,.Locationinpatent:Page46

[11]Patent:EP2327704,2011,A1,.Locationinpatent:Page/Pagecolumn44

[12]Patent:EP2426135,2012,A1,.Locationinpatent:Page/Pagecolumn100

[13]Patent:US9096593,2015,B2,.Locationinpatent:Page/Pagecolumn171;173

[1]Patent:US5821241,1998,A,

[1]OrganicandBiomolecularChemistry,2014,vol.12,#4,p.682-689

[1]ChemischeBerichte,1894,vol.27,p.1097

[2]JournalfuerPraktischeChemie(Leipzig),1895,vol.<2>52,p.47

[3]JournalfuerPraktischeChemie(Leipzig),1895,vol.<2>52,p.47

[4]AsianJournalofChemistry,2015,vol.27,#7,p.2545-2547

[5]RussianJournalofOrganicChemistry,2016,vol.52,#9,p.1322-1325

[6]Zh.Org.Khim.,2016,vol.52,#9,p.1334-1337,4

[1]Synthesis(Germany),2013,vol.45,#9,p.1215-1226

Downstream Synthesis Route

[1]Patent:EP3604311,2020,A1.Locationinpatent:Paragraph0267;0268

[2]JournalofMedicinalChemistry,1997,vol.40,p.1779-1788

[3]JournalofOrganicChemistry,1999,vol.64,p.7751-7755

[4]AsianJournalofChemistry,2015,vol.27,p.2545-2547

[5]JournalofMedicinalChemistry,2018,vol.61,p.10875-10894

[6]RussianJournalofOrganicChemistry,2016,vol.52,p.1322-1325    Zh.Org.Khim.,2016,vol.52,p.1334-1337,4

[7]ChemischeBerichte,1894,vol.27,p.1097    JournalfuerPraktischeChemie(Leipzig),1895,vol.<2>52,p.47

[8]JournalofStructuralChemistry,2003,vol.44,p.314-317

[9]Patent:EP1433788,2004,A1.Locationinpatent:Page46

[10]Patent:EP2327704,2011,A1.Locationinpatent:Page/Pagecolumn44

[11]Patent:EP2426135,2012,A1.Locationinpatent:Page/Pagecolumn100

[12]Patent:US9096593,2015,B2.Locationinpatent:Page/Pagecolumn171;173

4077-76-3    108-24-7   
1-acetyl-1<i>H</i>-pyrazole-3,5-dicarboxylicaciddimethylester 

[1]JournalfurpraktischeChemie(Leipzig1954),1930,vol.&lt;2&gt;126,p.177,192

4077-76-3    75-36-5   
1-acetyl-1<i>H</i>-pyrazole-3,5-dicarboxylicaciddimethylester 

[1]JournalfurpraktischeChemie(Leipzig1954),1930,vol.&lt;2&gt;126,p.177,192

[1]ArchivderPharmazie,1943,vol.281,p.171,180

[1]ArchivderPharmazie,1943,vol.281,p.171,180

Literature

Title: Dimethyl 1-(4-cyano-benz-yl)-1H-pyrazole-3,5-dicarboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20090501

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
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