Nitrosaccharin
6-Nitrosaccharin
CAS: 22952-24-5
Molecular Formula: C7H4N2O5S
Nitrosaccharin - Names and Identifiers
| Name | 6-Nitrosaccharin |
| Synonyms | Nitrosaccharin 6-Nitrosaccharin 6-Nitro-1,1-dioxo-1,2-benzothiazol-3-one 6-Nitro-1,2-benzisothiazolin-3-one 1,1-dioxide 6-Nitro-1,2-benzothiazol-3(2H)-one 1,1-dioxide 6-Nitrobenzo[d]isothiazol-3(2H)-one 1,1-dioxide 1,2-Benzisothiazol-3(2H)-One,6-Nitro,1,1-Dioxide 6-Nitro-1,2-benzisothiazol-3(2H)-one 1,1-dioxide 1,2-benzisothiazol-3(2H)-one, 6-nitro-, 1,1-dioxide 6-nitro-2,3-dihydro-1H-1lambda~6~-benzo[d]isothiazole-1,1,3-trione |
| CAS | 22952-24-5 |
| InChI | InChI=1/C7H4N2O5S/c10-7-5-2-1-4(9(11)12)3-6(5)15(13,14)8-7/h1-3H,(H,8,10) |
Nitrosaccharin - Physico-chemical Properties
| Molecular Formula | C7H4N2O5S |
| Molar Mass | 228.18 |
| Density | 1.762±0.06 g/cm3(Predicted) |
| Melting Point | 205-207 °C |
| pKa | 0?+-.0.30(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.662 |
Nitrosaccharin - Reference Information
| Application | 6-nitro-1, 2-benzisothiazoline -3-one 1, 1-dioxide is an organic intermediate, which can be prepared from p-nitrotoluene in two steps. It has been reported that it can be used to synthesize a novel probe based on spatial light-induced electron transfer (SPET). |
| preparation | step 1: add 22.0g(160mmol) of p-nitrotoluene to 53.0mL of chlorosulfonic acid and react at 60 ℃ for 48h. After the reaction, it was cooled to room temperature, then slowly poured into crushed ice and extracted with 1L of ether. The organic phase is washed with saturated salt water (500mL × 3), 300mL of concentrated ammonia water is added after the organic phase is combined, and heated to 50 ℃ until the ether is completely volatilized. The reaction liquid was cooled to room temperature, filtered, and the crude product was recrystallized twice with water to obtain 12.1g of light yellow needle-like crystals with a yield of 35%,m.p.182-183 ℃. Step 2: Dissolve 9.0g(900mmol) of chromium trioxide in a mixed solvent of 84.0mL concentrated sulfuric acid and 67.0mL deionized water, and stir in an ice bath to cool to room temperature. Then 4.3g(20mmol) compound 1 was added to the reaction solution in batches and stirred at room temperature for 24 hours. After the reaction, pour the reaction solution into crushed ice and filter to obtain white crude product powder. The crude product is dissolved in 10% NaHCO3 aqueous solution, filtered to remove insoluble impurities, and the filtrate is acidified with 5% HCl to obtain 1.8g of white powder with a yield of 40% and mp209-210 ℃. |
Last Update：2024-04-09 21:01:54
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