3,3-DMethyl-1-(trifluoroMethyl)-1,2-benziodoxole
3,3-Dimethyl-1-(trifluoromethyl)-1,2-benziodoxole
CAS: 887144-97-0
Molecular Formula: C10H10F3IO
3,3-DMethyl-1-(trifluoroMethyl)-1,2-benziodoxole - Names and Identifiers
| Name | 3,3-Dimethyl-1-(trifluoromethyl)-1,2-benziodoxole |
| Synonyms | Togni's Reagent 1-Trifluoromethyl-3,3-dimethyl-1,2-benziodoxole 3,3-DMethyl-1-(trifluoroMethyl)-1,2-benziodoxole 3,3-Dimethyl-1-(trifluoromethyl)-1,2-benziodoxole 1,3-Dihydro-3,3-diMethyl-1-(trifluoroMethyl)-1,2-b 1,3-Dhydro-3,3-diMethyl-1-(trifluoroMethyl)-1,2-benziodoxole 1,3-dihydro-3,3-diMethyl-1-(trifluoroMethyl)-1,2-benziodoxole 1,3-Dihydro-3,3-dimethyl-1-(trifluoromethyl)-1,2-benziodoxole, Tognis Reagent |
| CAS | 887144-97-0 |
| InChI | InChI=1/C10H10F3IO/c1-9(2)7-5-3-4-6-8(7)14(15-9)10(11,12)13/h3-6H,1-2H3 |
| InChIKey | HVAPLSNCVYXFDQ-UHFFFAOYSA-N |
3,3-DMethyl-1-(trifluoroMethyl)-1,2-benziodoxole - Physico-chemical Properties
| Molecular Formula | C10H10F3IO |
| Molar Mass | 330.09 |
| Melting Point | 75-79 °C |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Appearance | powder |
| Color | white to off-white |
| Storage Condition | 2-8°C |
| Stability | Moisture Sensitive |
3,3-DMethyl-1-(trifluoroMethyl)-1,2-benziodoxole - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | 1325 |
| WGK Germany | 3 |
| TSCA | No |
| HS Code | 29349990 |
| Hazard Class | 4.1 |
| Packing Group | Ⅲ |
3,3-DMethyl-1-(trifluoroMethyl)-1,2-benziodoxole - Reference Information
| Application | 3, 3-dimethyl-1-(trifluoromethyl)-1, 2-benzoiodoxypentane, I .e., Togni's reagent, is composed of 1-chloro-1, 3-dihydro-3, 3-dimethyl-1, 2-benzoiodoxypentane was prepared by reaction with (trifluoromethyl) trimethylsilane. |
| preparation | dry KOAc (6.66g, 67.9 mmol, 1.68 EQ) and iodine derivative (11.94g) stir in anhydrous MeCN (100 mL) at ambient temperature for 1 hour. The mixture was filtered. The remaining white solid was washed with MeCN to give a clear, almost colorless solution. MeCN (100 mL) was added to the mixture. The solution was cooled to -17°C. To the mixture was added Me3SiCF3 (9.16 mL, 61.97 mmol), followed by the dropwise addition of tetrabutylammonium triphenyldifluorosilicate (0.065g, 0.120 mmol) in MeCN (2 mL). In the solution. The reaction mixture was stirred AT -17°C for 16 hours. The reaction mixture was heated to -12°C. Me3SiCF3(1.31 mL,8.9 mmol) was added to the reaction mixture at -12°C. The reaction mixture was allowed to warm to room temperature over 3 hours. The reaction mixture was stirred at room temperature for an additional 3 hours. The volatile components of the mixture were removed. The residue was dried under vacuum. Dry pentane ( 150 mL) was added to the remaining brown solid. The resulting mixture was filtered through a dry alox pad. The clear, colorless solution was evaporated until dry. The residue was dried under vacuum. |
Last Update：2024-04-09 20:52:54
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