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5744-51-4,MFCD00085071
Catalog No.:AA003PXJ

5744-51-4 | Ethyl 1,5-dimethyl-1h-pyrazole-3-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$14.00   $10.00
- +
5g
98%
in stock  
$17.00   $12.00
- +
10g
≥98%
in stock  
$29.00   $20.00
- +
25g
98%
in stock  
$52.00   $36.00
- +
100g
98%
in stock  
$165.00   $116.00
- +
  • 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:
AA003PXJ
Chemical Name:
Ethyl 1,5-dimethyl-1h-pyrazole-3-carboxylate
CAS Number:
5744-51-4
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD00085071
SMILES:
CCOC(=O)c1nn(c(c1)C)C
Properties
Properties
 
BP:
258.8°C at 760 mmHg  
Form:
Solid  
MP:
39-41°C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
172  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
3  
XLogP3:
1.2  

Upstream Synthesis Route

[1]AustralianJournalofChemistry,1983,vol.36,#1,p.135-147

[1]Patent:CN106478734,2017,A,.Locationinpatent:Paragraph0027;0028;0029

[2]JournalofMedicinalChemistry,2015,vol.58,#5,p.2180-2194

[3]MedicinalChemistryResearch,2012,vol.21,#10,p.2772-2778,7

[1]EuropeanJournalofInorganicChemistry,2011,#11,p.1768-1775

[1]OrganicLetters,2011,vol.13,#6,p.1436-1439

[2]Patent:US5606051,1997,A,

[1]OrganicLetters,2006,vol.8,#15,p.3219-3222

Downstream Synthesis Route

[1]EuropeanJournalofMedicinalChemistry,1984,vol.19,p.433-439

[1]AustralianJournalofChemistry,1983,vol.36,p.135-147

[1]EuropeanJournalofMedicinalChemistry,1984,vol.19,p.433-439

[1]JournalofMedicinalChemistry,2015,vol.58,p.2180-2194

[2]AnalesdeQuimica,1996,vol.92,p.70-78

[3]OrganicLetters,2011,vol.13,p.1436-1439

[4]Patent:CN106478734,2017,A.Locationinpatent:Paragraph0027;0028;0029

[5]MedicinalChemistryResearch,2012,vol.21,p.2772-2778,7

[6]Patent:WO2018/178227,2018,A1.Locationinpatent:Page/Pagecolumn31-32

[1]OrganicLetters,2006,vol.8,p.3219-3222

Literature
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SDS
Tags:5744-51-4 Molecular Formula|5744-51-4 MDL|5744-51-4 SMILES|5744-51-4 Ethyl 1,5-dimethyl-1h-pyrazole-3-carboxylate |Organic_Building_Blocks