Cat.NO.:A438440 Purity:97%
Product Details of [ 1000572-78-0 ]
| CAS No. : | 1000572-78-0 |
| Formula : |
C6H2BrCl2F |
| M.W : |
243.89
|
| SMILES Code : | FC1=CC(Cl)=C(Cl)C=C1Br |
| MDL No. : | MFCD09878158 |
| InChI Key : | YAKOUNMAKAPKIQ-UHFFFAOYSA-N |
| Pubchem ID : | 44891196 |
Safety of [ 1000572-78-0 ]
| GHS Pictogram: |  |
| Signal Word: | Warning |
| Hazard Statements: | H315-H319 |
| Precautionary Statements: | P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362 |
Application In Synthesis of [ 1000572-78-0 ]
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
- Downstream synthetic route of [ 1000572-78-0 ]
[ 1000572-78-0 ] Synthesis Path-Downstream 1~2
- 1
[ 2729-36-4 ]
[ 1000572-78-0 ]
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 73.5% | With tert.-butylnitrite; copper(ll) bromide; In acetonitrile; at 65℃; | Anhydrous copper (II) bromide (1.5 g, 6.7 mmol) and t-butyl nitrite (0.87 g, 8.4 mmol) were combined in anhydrous acetonitrile (15 mL). The resulting mixture was heated to 65 C. and a solution of 4,5-dichloro-2-fluorophenylamine (1.0 g, 5.59 mmol) in anhydrous acetonitrile (2 mL) was added dropwise (vigorous gas evolution was noted). After allowing to cool to ambient temperature, the reaction mixture was added to 2N HCl and extracted with ether twice. The organic extracts were then combined, washed with 2N HCl, washed with saturated sodium bicarbonate, dried, concentrated and chromatographed to give the title compound as an orange solid (1.0 g, 73.5% yield): 1H NMR (CDCl3): δ 7.67 (d, 1H), 7.27 (d, 1H). |
- 2
- [ 1000572-78-0 ]
[ 61676-62-8 ]
[ 1116681-96-9 ]
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 71% | <strong>[1000572-78-0]1-Bromo-4,5-dichloro-2-fluorobenzene</strong> (1.0 g, 4.11 mmol) was dissolved in tetrahydrofuran (THF; 20 mL) and cooled to -10 C. A 2.0M solution of isopropylmagnesium chloride (2.3 mL, 4.6 mmol) in THF was added dropwise via a syringe. The reaction mixture was stirred at -10 C. for 1 hour, allowed to warm toward 0 C. for 1 hour, then cooled to -10 C. again. A solution of 2-isopropoxy-4,4,5,5-tetramethyl[1,3,2,]dioxaborolane (0.85 g, 4.56 mmol) in THF (1.0 mL) was then added dropwise and the reaction was allowed to warm to ambient temperature. The reaction mixture was then added to diethyl ether and extracted with 1N sodium hydroxide. The aqueous phases were combined, acidified to pH 3 with concentrated HCl, and extracted with dichloromethane twice. The organic phases were combined, dried, filtered and concentrated to give the title compound (0.85 g, 71% yield) that was used without further purification:1H NMR (CDCl3): δ 7.73 (d, 1H), 7.12 (d, 1H), 1.3 (s, 12H). |
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