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| | CHEMBRDG-BB 4003862 Chemical Properties |
| Boiling point | 316.9±22.0 °C(Predicted) | | density | 1.24±0.1 g/cm3(Predicted) | | storage temp. | 2-8°C | | pka | -2.95±0.12(Predicted) | | form | solid | | InChI | 1S/C10H7FN2O/c11-9-2-1-3-10(4-9)13-6-8(7-14)5-12-13/h1-7H | | InChIKey | FKZJADFSOBJBNG-UHFFFAOYSA-N | | SMILES | O=C([H])C1=CN(C2=CC=CC(F)=C2)N=C1 | | CAS DataBase Reference | 936940-82-8 |
| WGK Germany | 3 | | HS Code | 2933199090 | | Storage Class | 11 - Combustible Solids |
| | CHEMBRDG-BB 4003862 Usage And Synthesis |
| Synthesis | 
To a 100 mL round-bottom flask, add 1.00 mmol of 1-(3-fluorophenyl)pyrazole, 1.50 mmol of hexamethylenetetramine, and 5 mL of trifluoroacetic acid. Heat the reaction under reflux for 12 hours with stirring. At the end of the reaction, neutralize the resulting solution with 10% NaHCO3 solution in an ice bath, and filter the precipitate under vacuum. If necessary, purify the crude product by column chromatography to obtain 1 g of CHEMBRDG-BB 4003862. | | Application | 1-(3-fluorophenyl)pyrazole-4-carboxaldehyde is an organic intermediate that can be prepared from 1-(3-fluorophenyl)pyrazole via a one-step reaction. 1-(3-fluorophenyl)pyrazole-4-carboxaldehyde can be used to prepare bromine domain protein inhibitors. |
| | CHEMBRDG-BB 4003862 Preparation Products And Raw materials |
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