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18048-64-1,MFCD00638319
Catalog No.:AA0021Y7

18048-64-1 | 1-(3,4-Dimethylphenyl)-3-methyl-3-pyrazolin-5-one

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Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$7.00   $5.00
- +
25g
97%
in stock  
$89.00   $62.00
- +
  • 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:
AA0021Y7
Chemical Name:
1-(3,4-Dimethylphenyl)-3-methyl-3-pyrazolin-5-one
CAS Number:
18048-64-1
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD00638319
SMILES:
CC1=NN(C(=O)C1)c1ccc(c(c1)C)C
Properties
Computed Properties
 
Complexity:
298  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
2  

Upstream Synthesis Route

[1]Patent:CN103360317,2016,B,.Locationinpatent:Paragraph0095;0105;0106;0108

[1]JournalofMedicinalChemistry,2001,vol.44,#22,p.3730-3745

[2]Patent:US6720345,2004,B1,.Locationinpatent:Pagecolumn10

[3]OrganicandBiomolecularChemistry,2018,vol.16,#3,p.424-432

[4]AdvancedSynthesisandCatalysis,2018,vol.360,#17,p.3345-3355

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2001,vol.44,p.3730-3745

[2]Patent:US6720345,2004,B1.Locationinpatent:Pagecolumn10

[3]OrganicandBiomolecularChemistry,2018,vol.16,p.424-432

[4]AdvancedSynthesisandCatalysis,2018,vol.360,p.3345-3355

18048-64-1    4857-47-0   
4-{<i>N</i>'-1-(3,4-dimethyl-phenyl)-3-methyl-5-oxo-1,5-dihydro-pyrazol-4-ylidene-hydrazino}-3-hydroxy-naphthalene-1-sulfonicacid 

[1]JournalofMedicinalChemistry,2001,vol.44,p.3730-3745

18048-64-1   
4-diazo-1-(3,4-dimethylphenyl)-3-methyl-3-pyrazolin-5-one 

[1]JournalofMedicinalChemistry,2001,vol.44,p.3730-3745

[2]Patent:US6670387,2003,B1.Locationinpatent:Pagecolumn13

18048-64-1   
4-{<i>N</i>'-1-(3,4-dimethyl-phenyl)-3-methyl-5-oxo-1,5-dihydro-pyrazol-4-ylidene-hydrazino}-3-hydroxy-naphthalene-1-carboxylicacid 

[1]JournalofMedicinalChemistry,2001,vol.44,p.3730-3745

Literature
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SDS
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Tags:18048-64-1 Molecular Formula|18048-64-1 MDL|18048-64-1 SMILES|18048-64-1 1-(3,4-Dimethylphenyl)-3-methyl-3-pyrazolin-5-one