950-81-2

Basic information

• Product Name: 4-ANTIPYRINECARBOXALDEHYDE
• Synonyms: TIMTEC-BB SBB000559;1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOLE-4-CARBOXALDEHYDE;4-ANTIPYRINECARBOXALDEHYDE;LABOTEST-BB LT00080392;2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde;1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-(1H)-pyrazole-4-carbaldehyde;2,3-dimethyl-5-oxo-1-phenyl-3-pyrazoline-4-carboxaldehyde;2,3-DIMETHYL-5-OXO-1-PHENYL-3-PYRAZOLIN-4-CARBOXALDEHYDE
• CAS NO: 950-81-2
• Molecular Formula: C₁₂H₁₂N₂O₂
• Molecular Weight: 216.24
• EINECS: 213-452-0
• Product Categories: Anti-virals;Aromatics;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 950-81-2.mol
• Article Data: 5

Chemical Properties

• Melting Point: 162-165 °C(lit.)
• Boiling Point: 334.8°Cat760mmHg
• Flash Point: 145.4°C
• Appearance: /
• Density: 1.292g/cm³
• Vapor Pressure: 0.000125mmHg at 25°C
• Refractive Index: 1.651
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: -1.39±0.60(Predicted)
• CAS DataBase Reference: 4-ANTIPYRINECARBOXALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-ANTIPYRINECARBOXALDEHYDE(950-81-2)
• EPA Substance Registry System: 4-ANTIPYRINECARBOXALDEHYDE(950-81-2)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-36/37/39
• WGK Germany: 3
• Hazardous Substances Data: 950-81-2(Hazardous Substances Data)

Usage

Chemical Properties

Pale Yellow Solid

Uses

Different sources of media describe the Uses of 950-81-2 differently. You can refer to the following data:
1. 4-Antipyrinecarboxaldehyde was used in the synthesis of a new crown ether-antipyrine schiffs base.
2. A derivative of the analgesic drug Antipyrene (A697500) with antiviral activity.

General Description

4-Antipyrinecarboxaldehyde undergoes condensation with 4′-aminobenzo-15-crown-5- to yield functionalized crown ether.

InChI:InChI=1/C12H12N2O2/c1-9-11(8-15)12(16)14(13(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3

Upstream product

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• 98-09-9 benzenesulfonyl chloride 
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• 60-80-0 antipyrine 
• 68-12-2 N,N-dimethyl-formamide 
• 110249-97-3 1,5-dimethyl-2-phenyl-4-((phenylimino)methyl)-1H-pyrazol-3(2H)-one 
• 108875-23-6 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid dimethylamide 
• 93-61-8 N-methyl-N-phenylformamide 

Downstream Products

• 101092-66-4 5-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylmethylene)-imidazolidine-2,4-dione 
• 75997-37-4 4-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylmethylene)-2-phenyl-4H-oxazol-5-one 
• 65699-76-5 4-(cyclohexylimino-methyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one 
• 110249-97-3 1,5-dimethyl-2-phenyl-4-((phenylimino)methyl)-1H-pyrazol-3(2H)-one 
• 15183-03-6 1-<3-Oxo-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazolyl-(4)>-3-oxo-3-phenyl-propen-1 
• 20936-87-2 1,5-dimethyl-2-phenyl-4-(o-tolylimino-methyl)-1,2-dihydro-pyrazol-3-one 
• 15182-98-6 4-acetyl-1,2-dihydro-1-methyl-2-phenyl-3H-pyrazol-3-one 
• 83-10-3 antipyric acid 
• 67817-67-8 1,5-dimethyl-4-(3-oxo-but-1-enyl)-2-phenyl-1,2-dihydro-pyrazol-3-one 
• 92555-01-6 5-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylmethylene)-2-thioxo-thiazolidin-4-one 
• 101721-26-0 3-allyl-5-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylmethylene)-2-thioxo-thiazolidin-4-one 
• 94959-86-1 5-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylmethylene)-3-ethyl-2-thioxo-thiazolidin-4-one 
• 112906-25-9 2-[(Z)-3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-thiophen-2-yl-allylidene]-malononitrile 

Relevant articles and documents

Cycloaddition Reaction of in Situ Formed Azaoxyallyl Cations with Aldehydes: An Approach to Oxazolidin-4-ones

A novel [3 + 2] cycloaddition reaction between in situ formed azaoxyallyl cations and aldehydes has been developed. This concise method allows the rapid formation of a number of oxazolidin-4-ones in high yields with good functional group tolerance at room temperature. Further transformation and late-stage modifications of drug molecules could also be achieved in good yields, highlighting the potential utility of the reaction.

Synthesis, antiviral, cytotoxicity and antitumor evaluations of A4 type of porphyrin derivatives

This manuscript describes the synthesis of a new series of porphyrin structures 4a-4m, 7, 9, 12 and 14. These structures were investigated against two types of viruses such as HIV-1 and HSV-1. Also they were screened for their antitumor activity. Among all tested compounds, it was found that compound 4b showed a high activity against HIV-1 and HSV-1 and against four different tumor cell lines. Most of the tested compounds showed a moderate degree of a potent antimicrobial activity. The structure of these compounds was confirmed on the basis of their analytical and spectral data such as UV-vis, IR, 13C NMR, 1H NMR spectroscopy and mass spectral data.

Sulphonamides, Part 9

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