148832-75-1

Basic information

• Product Name: 3,5-(1H)-pyrazoledicarbaldehyde
• Synonyms: 3,5-(1H)-pyrazoledicarbaldehyde;1H-pyrazole-3,5-dicarbaldehyde
• CAS NO: 148832-75-1
• Molecular Formula: C₅H₄N₂O₂
• Molecular Weight: 124.09746
• EINECS: -0
• Mol File: 148832-75-1.mol
• Article Data: 4

Chemical Properties

• Melting Point: 193-194 °C(Solv: water (7732-18-5))
• Boiling Point: 394.6±27.0 °C(Predicted)
• Appearance: /
• Density: 1.471±0.06 g/cm3(Predicted)
• PKA: 8.40±0.10(Predicted)
• CAS DataBase Reference: 3,5-(1H)-pyrazoledicarbaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-(1H)-pyrazoledicarbaldehyde(148832-75-1)
• EPA Substance Registry System: 3,5-(1H)-pyrazoledicarbaldehyde(148832-75-1)

Safety Data

• Hazardous Substances Data: 148832-75-1(Hazardous Substances Data)

Upstream product

• 37687-24-4 diethyl 1H-pyrazole-3,5-dicarboxylate 
• 3112-31-0 3,5-pyrazoledicarboxylic acid 
• 67-51-6 3,5-dimethyl-1H-pyrazole 
• 142179-08-6 3,5-bis(hydroxymethyl)-1H-pyrazole 

Downstream Products

• 1397683-79-2 1H-pyrazole-3,5-dicarboxamide 
• 847573-68-6 1H-pyrazole-3,5-dicarbonitrile 
• 3112-31-0 3,5-pyrazoledicarboxylic acid 

Relevant articles and documents

New macrocyclic polyamines of 3,5-disubstituted 1H-pyrazole. A 13C NMR study of deprotonation and formation of Zn2+ dinuclear complexes

Dipodal (2+2) condensation of 3,5-(1H-pyrazole)dicarbaldehyde (3) with 1,5-diamino-3-oxapentane (4) and diethylenetriamine (5) followed by hydrogenation of the resulting Schiff bases (6 and 8), affords two new 26 membered polyaza macrocycles of 1H-pyrazole (7 and 9). The deprotonation of both crowns in basic medium as well as the formation of dinuclear Zn2+ complexes (7b and 9b) from the dipyrazolate salts 7a and 9a have been studied by 13C NMR.

Experimental and theoretical investigation of the spectroscopic and electronic properties of pyrazolyl ligands

The electronic and spectroscopic properties of seven pyrazole derivatives are presented in order to give a clear understanding of their distinguishing features. Four out of the seven ligands are synthesised and are also characterised experimentally. A very high correlation was observed between the experimental and the theoretical IR, 1H NMR and 13C NMR, which help in the characterisation of the ligands. The excitation properties computed using the TDDFT shows that most of experimentally observed absorptions of the ligands are predominantly form either the HOMO or HOMO-1 to LUMO or LUMO+1. The characteristic features of the *N atoms (i.e. metal available coordinating centre) shows that the carboxylic unit may possibly decrease the metal affinity of the pyrazole unit while the pyridine unit will increase the affinity. The conductivity properties of the seven ligands are found to be in the order of bdmpzpy > bpzpy > bphpza > bdcpzpy > phpz > dcpz. The J-coupling of *NN can give an insight into the variation in their bond distance, bond stretch and bond strength in the ligands. Also the atomic properties of the *N atoms and their *NN bonds can help in the molecular characterisation, differentiation and in prediction of the non-linear optical properties of the ligands as conductive materials.