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| | 3,5-PYRAZOLEDICARBOXYLIC ACID Basic information |
| Product Name: | 3,5-PYRAZOLEDICARBOXYLIC ACID | | Synonyms: | 3,6-PYRAZOLEDICARBOXYLIC ACID;1H-Pyrazol-3,5-dicarboxylic acid;3,5-Pyrazoledicarboxylic acid Monohydrate, 97% 5GR;,5-Pyrazoledicarboxylic acid;3,5-Dicarboxy-1H-pyrazole;3,5-pyrazoledicarboxylic aci;3,5-Pyrazoledicarboxylic Acid ;3,5-PYRAZOLEDICARBOXYLIC ACID | | CAS: | 3112-31-0 | | MF: | C5H4N2O4 | | MW: | 156.1 | | EINECS: | 221-474-7 | | Product Categories: | Heterocyclic Compounds;Building Blocks;Heterocyclic Building Blocks;Pyrazoles;1 | | Mol File: | 3112-31-0.mol |  |
| | 3,5-PYRAZOLEDICARBOXYLIC ACID Chemical Properties |
| 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 | | 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) |
| | 3,5-PYRAZOLEDICARBOXYLIC ACID Usage And Synthesis |
| Chemical Properties | white crystalline powder | | 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.] |
| | 3,5-PYRAZOLEDICARBOXYLIC ACID Preparation Products And Raw materials |
| 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 |
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