- 3,5-Dimethylisoxazole
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- $30.00 / 1KG
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2025-06-27
- CAS:300-87-8
- Min. Order: 50KG
- Purity: 99%
- Supply Ability: 500000kg
- 3,5-Dimethylisoxazole
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- $0.00 / 1kg
-
2025-06-20
- CAS:300-87-8
- Min. Order: 1kg
- Purity: 0.99
- Supply Ability: 20 tons
- 3,5-Dimethylisoxazole
-
- $1.00 / 1KG
-
2024-05-26
- CAS:300-87-8
- Min. Order: 1KG
- Purity: 99%
- Supply Ability: 2000ton
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| | 3,5-Dimethylisoxazole Basic information |
| | 3,5-Dimethylisoxazole Chemical Properties |
| Melting point | -14℃ | | Boiling point | 142-144 °C(lit.) | | density | 0.99 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.442(lit.) | | Fp | 88 °F | | storage temp. | Inert atmosphere,Room Temperature | | solubility | 50.9g/l | | pka | -1.35±0.28(Predicted) | | form | clear liquid | | color | Colorless to Light yellow to Light orange | | Specific Gravity | 0.99 | | PH | 4.5 (10g/l, H2O, 20℃) | | Water Solubility | insoluble | | BRN | 106324 | | InChI | 1S/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3 | | InChIKey | FICAQKBMCKEFDI-UHFFFAOYSA-N | | SMILES | Cc1cc(C)on1 | | LogP | 1.431 (est) | | CAS DataBase Reference | 300-87-8(CAS DataBase Reference) | | NIST Chemistry Reference | Isoxazole, 3,5-dimethyl-(300-87-8) | | EPA Substance Registry System | Isoxazole, 3,5-dimethyl- (300-87-8) |
| Hazard Codes | Xn | | Risk Statements | 10-20/21/22 | | Safety Statements | 16-36 | | RIDADR | UN 1993 3/PG 3 | | WGK Germany | 3 | | RTECS | NY2774200 | | TSCA | TSCA listed | | HazardClass | 3 | | PackingGroup | III | | HS Code | 29349990 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Flam. Liq. 3 |
| | 3,5-Dimethylisoxazole Usage And Synthesis |
| Chemical Properties | clear colourless to pale yellow liquid | | Uses | The optimization of 3,5-dimethylisoxazole derivatives to develop potent inhibitors of the BET (bromodomain and extra terminal domain) bromodomain family with good ligand efficiency. It has hypoglycemic activity. | | Application | 3,5-dimethylisoxazole is an organic intermediate used in the preparation of 4-(chloromethyl)-3,5-dimethylisoxazole. | | Preparation | 3,5-Dimethylisozole can be synthesized from acetylacetone and hydroxylamine hydrochloride in one step off ring. | | Synthesis | General procedure for the synthesis of 3,5-dimethylisoxazole from acetylacetone: To a solution of hydroxylamine hydrochloride (8.34 g, 0.12 mol) in water (10 ml) was slowly added a solution of 2,4-pentanedione (6) (10.2 g, 0.1 mol) in ethanol (10 ml). The reaction mixture was heated to reflux at set temperature for 3 hrs and subsequently cooled to room temperature and slowly poured into cold water (60 ml). The mixture was extracted using ether (3 x 40 ml). All the organic layers were combined and dried with anhydrous sodium sulfate (Na2SO4) followed by evaporation under reduced pressure to remove the solvent to give a brown oily residue. The residue was purified by reduced pressure distillation to afford 3,5-dimethylisoxazole (5) (8.10 g, 82% yield) as a colorless liquid (boiling point 85-86°C, pressure 150 mmHg). The product was characterized by infrared spectroscopy (IR, thin-film method) and the main absorption peaks were: 3132, 2934, 1611, 1455, 1414, 1258, 1011, 886, 795 cm-1. The data of nuclear magnetic resonance hydrogen spectroscopy (1H NMR, CDCl3, 400 MHz) were as follows: δ 5.82 (1H, single peak, H-4), 2.36 (3H, single peak , C=CCH3), 2.23 (3H, single peak, N=CCH3). The nuclear magnetic resonance carbon spectrum (13C NMR, CDCl3) data were as follows: δ 11.3, 12.1, 102.3, 159.9, 169.1. | | References | [1] Organic Process Research and Development, 2015, vol. 19, # 9, p. 1274 - 1281
[2] Oriental Journal of Chemistry, 2016, vol. 32, # 1, p. 127 - 135
[3] Beilstein Journal of Organic Chemistry, 2011, vol. 7, p. 127 - 134
[4] Chemical Communications, 2013, vol. 49, # 81, p. 9329 - 9331
[5] Angewandte Chemie - International Edition, 2017, vol. 56, # 4, p. 1026 - 1030 |
| | 3,5-Dimethylisoxazole Preparation Products And Raw materials |
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