| Identification | More | [Name]
3,5-PYRAZOLEDICARBOXYLIC ACID | [CAS]
3112-31-0 | [Synonyms]
1H-PYRAZOLE-3,5-DICARBOXYLIC ACID
3,5-PYRAZOLEDICARBOXYLIC ACID
LABOTEST-BB LT00451775
PYRAZOLE-3,5-DICARBOXYLIC ACID
3,5-PYRAZOLEDICARBOXYLIC ACID HYDRATE
3,5-Pyrazoledicarboxylic acid ,98% | [EINECS(EC#)]
221-474-7 | [Molecular Formula]
C5H4N2O4 | [MDL Number]
MFCD00005235 | [Molecular Weight]
156.1 | [MOL File]
3112-31-0.mol |
| Chemical Properties | Back Directory | [Appearance]
white crystalline powder | [Melting point ]
292-295 °C (dec.)(lit.)
| [Boiling point ]
614.4±40.0 °C(Predicted) | [density ]
1.814±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
Crystalline Powder | [pka]
3.24±0.10(Predicted) | [color ]
White | [Detection Methods]
HPLC | [InChI]
InChI=1S/C5H4N2O4/c8-4(9)2-1-3(5(10)11)7-6-2/h1H,(H,6,7)(H,8,9)(H,10,11) | [InChIKey]
YDMVPJZBYSWOOP-UHFFFAOYSA-N | [SMILES]
N1C(C(O)=O)=CC(C(O)=O)=N1 | [CAS DataBase Reference]
3112-31-0(CAS DataBase Reference) |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Ethanol-->Methanol-->Chloroform-->Formaldehyde-->Potassium permanganate-->3,5-Dimethylpyrazole-->3-ethyl-5-methyl-1H-pyrazole-->3,5-(1H)-pyrazoledicarbaldehyde-->ethyl 3-forMyl-4,5-dihydro-1H-pyrazole-5-carboxylate-->5-Methyl-1H-pyrazole-3-carboxylic acid-->5-Pyrazolecarboxylic acid-->2,4-Octanedione-->CHEMBRDG-BB 4005123-->Diethyl 3,5-pyrazoledicarboxylate | [Preparation Products]
5-N-Boc-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid-->1,3,5-Trimethyl-pyrazole-3,5-dicarboxylate-->3, 5- Bis(benzimidazol-2-yl)pyrazole-->Dimethyl 1H-pyrazole-3,5-dicarboxylate |
| Hazard Information | Back Directory | [Chemical Properties]
white crystalline powder | [Uses]
3,5-Pyrazoledicarboxylic acid serves as a ligand for synthesizing metal complexes and coordination polymers. It forms complexes with lanthanides such as cerium(III), lanthanum(III), neodymium(III), praseodymium, samarium, europium, gadolinium, terbium, dysprosium, holmium, and erbium. These ligands function as effective bridges to assemble lanthanide-based metal-organic frameworks (MOFs) with varied photophysical and magnetic properties. Hydrothermal reactions of the acid with simple alkaline salts or hydroxides yield new coordination compounds at different pH levels. In mixed-ligand systems, 3,5-pyrazoledicarboxylic acid is used with oxalic acid and terbium nitrate in hydrothermal synthesis to produce specific lanthanide complexes[1-4]. | [Synthesis]
3,5-dimethylpyrazole (4.8g, 50mmol) and 40mL water were added to a 100mL three-necked flask, stirred at 60°C, potassium permanganate (31.9g, 200mmol) was added in batches, the reaction temperature was kept at 85-90°C, and the reaction was carried out for | [Purification Methods]
It crystallises from water as a monohydrate, or EtOH. Dry it in a vacuum at 100o. The dimethyl ester crystallises from *C6H6 with m 155o. [Beilstein 25 III/IV 1047.] | [References]
[1]
Peica, N., Kostova, I., Kiefer, W. (2006). Theoretical and experimental studies on binding mode of 3,5-pyrazoledicarboxylic acid in its new La(III) complex. Chemical Physics, 325(2-3), 411–421. https://doi.org/10.1016/j.chemphys.2006.01.017
[2]
Kostova, I., Momekov, G. (2008). Synthesis, spectral and pharmacological studies on lanthanide(III) complexes of 3,5-pyrazoledicarboxylic acid. Journal of Coordination Chemistry, 61(23), 3776–3792. https://doi.org/10.1080/00958970802155321
[3]
Kostova, I., Peica, N., Kiefer, W. (2006). Raman, FT‐IR, and DFT studies of 3,5‐pyrazoledicarboxylic acid and its Ce(III) and Nd(III) complexes. Journal of Raman Spectroscopy, 38(1), 1–10. https://doi.org/10.1002/jrs.1562
[4]
Wu, H.-Y., Yue, S.-T., Wang, N., Liu, Y.-L. (2010). Two lanthanide luminescent coordination compounds based on 3,5-pyrazoledicarboxylate and oxalic acid. Journal of Coordination Chemistry, 63(5), 785–793. https://doi.org/10.1080/00958971003645938 |
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
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https://www.jkchemical.com |
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Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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Jia Xing Isenchem Co.,Ltd
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0573-85285100 18627885956 |
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https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
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China Langchem Inc.
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0086-21-58956006 |
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