Entecavir intermediate N4
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Entecavir intermediate N4
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CAS No:
142217-77-4
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Formula:
C32H33N5O4
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Chemical Name:
Entecavir intermediate N4
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Synonyms:
Entecavir Intermediate IV;Entecavir intermediate N4;BCP21001;AK-33259;FT-0649264;FT-0686412
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CAS No:
Characteristics
118
4
Colorless transparent liquid
1.3±0.1 g/cm3
780.5ºC at 760 mmHg
425.9±35.7 °C
1.670
Entecavir intermediate N4 Use and Manufacturing
To the reaction flask, 100 mL of toluene and 0.1 g of tetrabutylammonium bromide were added.N3 10g, stirring 10min, adding 30percent KOHSolution 50g, add Gua 10g, stir to dissolve, Warm up to 80°C, heat and stir for 6h, TLC (ethyl acetate:n-heptane=1:.1, N3:Rf=0.7, N4:Rf=0.3) was monitored, and a small amount of N3 remained. The sample was submitted for HPLC (N3 peak time 10 min, N4 peak 6 min), and N3 remained less than 1percent. Finish the reaction and let it stand. Divide the water layer and wash it with drinking water twice.Toluene was concentrated and removed to obtain 12 g of a solid. After column chromatography, the mixture was concentrated and dried to obtain 6 g of a white solid with a purity of 99.9percent.
Computed Properties
Molecular Weight:551.6
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:551.25325455
Monoisotopic Mass:551.25325455
Topological Polar Surface Area:118
Heavy Atom Count:41
Complexity:775
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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