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| | 4-(1H-1,2,4-Triazol-1-yl)benzaldehyde Basic information | | Uses |
| Product Name: | 4-(1H-1,2,4-Triazol-1-yl)benzaldehyde | | Synonyms: | BUTTPARK 95\50-81;4-(1H-1,2,4-TRIAZOL-1-YL)BENZENECARBALDEHYDE;4-[1,2,4]TRIAZOL-1-YL-BENZALDEHYDE;4-(1h-1,2,4-triazol-1-yl)benzaldehyde, 95+%;4-[1,2,4]TRIAZOL-1-YL-BENZALDEHYDE, 95+%;4-(1,2,4-Triazol-1-yl)benzaldehyde>;Benzaldehyde, 4-(1H-1,2,4-triazol-1-yl)-;1-(4-Formylphenyl)-1,2,4-triazole | | CAS: | 27996-86-7 | | MF: | C9H7N3O | | MW: | 173.17 | | EINECS: | | | Product Categories: | Carbonyl Compounds;Heterocycles | | Mol File: | 27996-86-7.mol |  |
| | 4-(1H-1,2,4-Triazol-1-yl)benzaldehyde Chemical Properties |
| Melting point | 147 °C | | Boiling point | 369.2±44.0 °C(Predicted) | | density | 1.25±0.1 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | solubility | slightly sol. in Methanol | | form | powder to crystal | | pka | 1.94±0.10(Predicted) | | color | Light orange to Yellow to Green | | InChI | InChI=1S/C9H7N3O/c13-5-8-1-3-9(4-2-8)12-7-10-6-11-12/h1-7H | | InChIKey | TVEJNWMWDIXPAX-UHFFFAOYSA-N | | SMILES | C(=O)C1=CC=C(N2C=NC=N2)C=C1 | | CAS DataBase Reference | 27996-86-7(CAS DataBase Reference) |
| | 4-(1H-1,2,4-Triazol-1-yl)benzaldehyde Usage And Synthesis |
| Uses | 4-(1-1,2,4-triazolyl)benzaldehyde is a useful research chemical used in organic synthesis and other chemical processes. | | Synthesis | GENERAL METHOD: A mixture of 4-fluorobenzaldehyde (10 mmol) and 1,2,4-triazole (10 mmol) was dissolved in anhydrous N,N-dimethylformamide (DMF, 20 mL). Potassium carbonate (K2CO3, 12 mmol) was added to the above stirred solution in portions over 15 minutes. The reaction mixture was stirred at 110°C for 10-12 hours. After completion of the reaction, the heating was stopped and the potassium carbonate was removed by filtration. The filtrate was extracted with ethyl acetate (3 x 15 mL). The organic layers were combined, washed with water (3 x 15 mL), dried over anhydrous sodium sulfate and concentrated under reduced pressure to give the crude product. The crude product was purified by silica gel column chromatography (60-120 mesh) with the eluent of methanol:chloroform (1:99, v/v) to obtain the target compound 4-(1-1,2,4-triazolyl)benzaldehyde. | | References | [1] European Journal of Medicinal Chemistry, 2009, vol. 44, # 7, p. 2930 - 2935
[2] European Journal of Medicinal Chemistry, 2011, vol. 46, # 9, p. 4302 - 4310
[3] Patent: US2012/329649, 2012, A1. Location in patent: Page/Page column 72
[4] Patent: US2014/171314, 2014, A1. Location in patent: Page/Page column
[5] Patent: WO2014/100163, 2014, A1. Location in patent: Page/Page column 131 |
| | 4-(1H-1,2,4-Triazol-1-yl)benzaldehyde Preparation Products And Raw materials |
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