3-cyclopropyl-1-(2-fluoro-4-iodophenyl...
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3-cyclopropyl-1-(2-fluoro-4-iodophenyl...
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CAS No:
871700-24-2
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Formula:
C18H15FIN3O4
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Chemical Name:
3-cyclopropyl-1-(2-fluoro-4-iodophenyl...
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CAS No:
3-cyclopropyl-1-(2-fluoro-4-iodophenyl... Use and Manufacturing
To a 2: 1 mixture (34.6 g) of 3-cyclopropyl-l-(2-fluoro-4- iodophenyl)-6-methylamino-lH-pyrimidine-2, 4-dione 52 and 1- cyclopropyl-3-(2-fluoro-4-iodo-phenyl)6-methylamino-1H- pyrimidine-2, 4, -dione 53 obtained in Step 4, and 2-methylmalonic acid 54 (10.2 g) was added acetic anhydride (173 ml), and the mixture was stirred at 100°C for 2 hrs. After allowing to cool to room temperature, the reaction mixture was concentrated under reduced pressure. Acetone (104 ml) was added to the residue, and the mixture was stirred with heating under reflux for 30 min. After allowing to cool to room temperature, the precipitated crystals were collected by filtration and dried to give 3- cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6, 8-dimethyl- lH, 8H-pyrido[2, 3-d]pyrimidine-2, 4, 7-trione 55 (15.1 g, yield from 48, 21percent) as colorless crystals.
Computed Properties
Molecular Weight:483.2
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:483.00913
Monoisotopic Mass:483.00913
Topological Polar Surface Area:81.2
Heavy Atom Count:27
Complexity:806
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-cyclopropyl-1-(2-fluoro-4-iodophenyl...
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