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3-cyclopropyl-1-(2-fluoro-4-iodophenyl...

3-cyclopropyl-1-(2-fluoro-4-iodophenyl... structure

CAS No:
871700-24-2
Formula:
C18H15FIN3O4
Chemical Name:
3-cyclopropyl-1-(2-fluoro-4-iodophenyl...
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-cyclopropyl-1-(2-fluoro-4-iodophenyl... Basic Attributes

Molecular Weight：

483.2322732

Exact Mass：

483.009

Characteristics

PSA：

81.2

XLogP3：

2.4

Density：

1.94±0.1 g/cm3(Predicted)

Boiling Point：

518.2±60.0°C at 760 mmHg

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)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione

CAS No.: 871700-24-2

Content: 99.00%

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Jinshu Peptide Co.,Ltd Contact Supplier

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High quality factory sale best service 3-cyclopropyl 1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione

CAS No.: 871700-24-2

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 3-cyclopropyl-1-(2-fluoro-4-iodophenyl...

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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