Product Details of [ 154093-72-8 ]
| CAS No. : | 154093-72-8 | MDL No. : | MFCD25973506 |
| Formula : | C13H9F2NO4 | Boiling Point : | – |
| Linear Structure Formula : | – | InChI Key : | NTWOKQCCNHKEIU-UHFFFAOYSA-N |
| M.W : | 281.21 | Pubchem ID : | 11680737 |
| Synonyms : | |||
Computed Properties of [ 154093-72-8 ]
| TPSA :Topological Polar Surface Area | 77.8 | H-Bond Acceptor Count : | 7 |
| XLogP3 : | 2.4 | H-Bond Donor Count : | 2 |
| SP3 : | 0.23 | Rotatable Bond Count : | 2 |
Safety of [ 154093-72-8 ]
| Signal Word: | Warning | Class | N/A |
| Precautionary Statements: | P261-P280-P305+P351+P338 | UN#: | N/A |
| Hazard Statements: | H302-H315-H319-H332-H335 | Packing Group: | N/A |
| GHS Pictogram: | |||
Application In Synthesis of [ 154093-72-8 ]
- Upstream synthesis route of [ 154093-72-8 ]
- Downstream synthetic route of [ 154093-72-8 ]
[ 154093-72-8 ] Synthesis Path-Upstream 1~3
- 1
- [ 112811-72-0 ]
- [ 154093-72-8 ]
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 90% | With hydrogenchloride; calcium chloride In water; dimethyl sulfoxide at -5 – 25℃; for 3.50 h; | A volume of approximately 500 mL of DMSO filtrate after the step of nucleophilic substitution was put into a 1000 mL reactor and, under stirring, CaCl2 (approximately 33 g) was added. The mixture was cooled under stirring to 0-5°C (-5°C-25°C) in 30 minutes. The pH was adjusted to the value of 4 with a 15percent HC1 aqueous solution and it was stirred for 3 hours under maintaining the temperature between 0 nad 5°C. The precipitated product was filtered, thoroughly washed with acetone and dried. Dry 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-quinoline carboxylic acid (approximately 35 g) with a purity over 90percent was isolated. |