3,5-DIMETHYLISOXAZOLE
3,5-Dimethylisoxazole
CAS: 300-87-8
Molecular Formula: C5H7NO
3,5-DIMETHYLISOXAZOLE - Names and Identifiers
| Name | 3,5-Dimethylisoxazole |
| Synonyms | u21221 U 21221 3,5-DISO AKOS BBS-00006705 3,5-dimethyl-isoxazol 3,5-Dimethylisoxazole 3,5-DIMETHYLISOXAZOLE 3,5-DIMETHOXYISOXAZOLE 3,5-DIMETHYLISOOXAZOLE -3,5-Dimethylisoxazole DIMETHYLISOXAZOLE(3,5-) 3,5-Dwumetyloizoksazolu 3,5-dimethyl-1,2-oxazole 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine |
| CAS | 300-87-8 |
| EINECS | 206-100-2 |
| InChI | InChI=1/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3 |
| InChIKey | FICAQKBMCKEFDI-UHFFFAOYSA-N |
3,5-DIMETHYLISOXAZOLE - Physico-chemical Properties
| Molecular Formula | C5H7NO |
| Molar Mass | 97.12 |
| Density | 0.99g/mLat 25°C(lit.) |
| Melting Point | -14℃ |
| Boling Point | 142-144°C(lit.) |
| Flash Point | 88°F |
| Water Solubility | insoluble |
| Solubility | 50.9g/l |
| Vapor Presure | 6.51mmHg at 25°C |
| Specific Gravity | 0.99 |
| BRN | 106324 |
| pKa | -1.35±0.28(Predicted) |
| PH | 4.5 (10g/l, H2O, 20℃) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | n20/D 1.442(lit.) |
3,5-DIMETHYLISOXAZOLE - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R10 - Flammable R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S16 - Keep away from sources of ignition. S36 - Wear suitable protective clothing. |
| UN IDs | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| RTECS | NY2774200 |
| TSCA | Yes |
| HS Code | 29349990 |
| Hazard Class | 3 |
| Packing Group | III |
3,5-DIMETHYLISOXAZOLE - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Application | 3, 5-dimethylisazole is an organic intermediate, which can be obtained by one-step ring closure of acetylacetone and hydroxylamine hydrochloride. 3, 5-dimethylisoxazole can be used to prepare 4-chloromethyl-3-dimethylisoxazole. |
| preparation | put 383g acetylacetone and 266.5g hydroxylamine hydrochloride into a 1L four-mouth flask, raise the temperature to 42-47 ℃, then add 266.5g potassium carbonate in batches, add about 1/20 each time (there is punching phenomenon, the purpose of adding in batches is to avoid punching), add about 1h, after adding, the temperature is 42-47 degrees, and the temperature starts to rise, the temperature is raised to 100 ℃ to start reflux, which takes 20min and 40 minutes to reflux. GC tracking acetylacetone can basically finish the reaction. After the reaction is completed, it is cooled to room temperature (20 degrees), filtered, the filtrate is layered, the upper layer is product, the lower layer is water layer, the upper layer is dried with anhydrous sodium sulfate, filtered to obtain liquid 1(322.6g), the filter cake is leached with dichloromethane (300ml), and the eluent is spin-dried (30 degrees), liquid 2(16.4g) is obtained, and the total weight of crude product is 339g when liquid 1 and liquid 2 are combined. The GC content of the crude product is about 90%, and the molar yield of the crude product is 87%. The crude product can be directly used as the next raw material without distillation treatment. |
Last Update：2024-04-09 02:00:03
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