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| | 3-Amino-1,2,4-triazole-5-carboxylic acid Basic information | | Uses |
| Product Name: | 3-Amino-1,2,4-triazole-5-carboxylic acid | | Synonyms: | 4-triazole-3-carboxylicacid,5-amino-1h-2;3-Amino-1H-1,2,4-triazole-5-carboxylic acid hydrate;3-AMINO-1,2,4-TRIAZOLE-5-CARBOXYLIC ACID HEMIHYDRATE;5-AMINO-1(H)-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID;3-Amino-1,2,4-triazole-5-carboxylic acid/Skype:sales8_1143;5-Amino-2H-1,2,4-triazole-3-carboxylic;3-Amino-1,2,4-triazole-5-carboxylic Acid Henihydrate;5-Amino-s-triazole-3-carboxylic acid | | CAS: | 3641-13-2 | | MF: | C3H4N4O2 | | MW: | 128.09 | | EINECS: | 222-868-1 | | Product Categories: | Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Acids and Derivatives;Heterocycles;Organic acids;Acids & Esters;Miscellaneous Compounds;Anilines, Amides & Amines | | Mol File: | 3641-13-2.mol |  |
| | 3-Amino-1,2,4-triazole-5-carboxylic acid Chemical Properties |
| Melting point | 178-182°C | | Boiling point | 562.4±33.0 °C(Predicted) | | density | 1.856±0.06 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | Aqueous Base (Soluble), DMSO (Soluble, Heated) | | pka | 11.74±0.40(Predicted) | | form | powder to crystal | | color | White to Almost white | | InChI | InChI=1S/C3H4N4O2/c4-3-5-1(2(8)9)6-7-3/h(H,8,9)(H3,4,5,6,7) | | InChIKey | MVRGLMCHDCMPKD-UHFFFAOYSA-N | | SMILES | N1C(N)=NC(C(O)=O)=N1 | | CAS DataBase Reference | 3641-13-2(CAS DataBase Reference) | | EPA Substance Registry System | 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino- (3641-13-2) |
| | 3-Amino-1,2,4-triazole-5-carboxylic acid Usage And Synthesis |
| Uses | 3-Amino-1,2,4-triazole-5-carboxylic acid is a building block used in the synthesis of purine nucleotide analogs by a promiscuous hypoxanthine phosphoribosyltransferase. | | Chemical Properties | Off-white Powder | | Uses | 5-Amino-4H-1,2,4-triazole-3-carboxylic Acid is a building block used in the synthesis of purine nucleotide analogs by a promiscuous hypoxanthine phosphoribosyltransferase. | | Synthesis | General procedure for the synthesis of 3-amino-1H-1,2,4-triazole-5-carboxylic acid from ethyl 2-(2-carbamoyliminohydrazide)-2-oxoacetate: ethyl 2-(2-carbamoyliminohydrazide)-2-oxoacetate (2 g, 35.60 mmol) was dissolved in water (100 ml) and the reaction was stirred for 12 hours at 100 °C. After completion of the reaction, the mixture was concentrated under vacuum to give a residue. The residue was dissolved in water (10 ml) and purified by precipitation to afford 5-amino-1H-1,2,4-triazole-3-carboxylic acid as a white solid (1.1 g, 63% yield). The product was confirmed by LC/MS (electrospray ionization, m/z) analysis: [M + H]+ 129.0. | | References | [1] Patent: WO2014/66743, 2014, A1. Location in patent: Paragraph 0146 |
| | 3-Amino-1,2,4-triazole-5-carboxylic acid Preparation Products And Raw materials |
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