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BENZYL 2-OXO-1,2-DIHYDROPYRIDIN-3-YLCARBAMATE

BENZYL 2-OXO-1,2-DIHYDROPYRIDIN-3-YLCARBAMATE structure

CAS No:
147269-67-8
Formula:
C13H12N2O3
Chemical Name:
BENZYL 2-OXO-1,2-DIHYDROPYRIDIN-3-YLCARBAMATE
Synonyms:
BENZYL 2-OXO-1,2-DIHYDROPYRIDIN-3-YLCARBAMATE;(2-Oxo-1,2-dihydropyridin-3-yl)carbamic acid benzyl ester;benzyl N-(2-oxo-1,2-dihydropyridin-3-yl)carbaMate;benzyl 2-hydroxypyridin-3-ylcarbaMate
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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BENZYL 2-OXO-1,2-DIHYDROPYRIDIN-3-YLCARBAMATE Basic Attributes

Molecular Weight：

244.25

Exact Mass：

244.084793

DSSTox ID：

DTXSID30476431

HScode：

2933399090

Characteristics

PSA：

67.4

XLogP3：

1.5

Density：

1.29±0.1 g/cm3(Predicted)

Melting Point：

175-178 °C

Boiling Point：

474.3±45.0 °C(Predicted)

Flash Point：

240.6±28.7 °C

Refractive Index：

1.617

BENZYL 2-OXO-1,2-DIHYDROPYRIDIN-3-YLCARBAMATE Use and Manufacturing

The amine (64.5 g, 586 mmol , 1.0 Eq) was dissolved in THF (1.6 L) and a solution of NaTo a mixture of 3-aminopyridin-2(1H)-one (3.25 g, 29.5 mmol) and sodium carbonate (6.26 g, 59.0 mmol) in tetrahydrofuran (100 mL) at rt was added benzylcarbonochloridate (5.27 mL, 36.9 mmol) over 5 mm. The mixture was stirred at rt for 24diluted with ethyl acetate (150 mL), and filtered through Celite®. The filtrate was concentrated under vacuum to a volume of approximate 200 mL, washed with water (40 mL), and dried over anhydrous Mg504. The solution was concentrated under vacuum to a volume of approximate 50 mL. The precipitating material (the first crop of product) wascollected as a white solid by suction. The filtrate was concentrated under vacuum to almost dryness. The residue was stirred with diethyl ether (50 mL). The insoluble material (the second crop of product) was collected as a white solid by suction. The two crops of product was combined and dried at 50 °C under vacuum to give the desired product, benzyl (2-oxo-1, 2-dihydropyridin-3-yl)carbamate (5.77 g, 23.62 mmol, 80 percentyield), as a white solid.

Computed Properties

Molecular Weight:244.25
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:244.08479225
Monoisotopic Mass:244.08479225
Topological Polar Surface Area:67.4
Heavy Atom Count:18
Complexity:382
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 147269-67-8

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147269-67-8 benzyl N-(2-oxo-1H-pyridin-3-yl)carbamate

CAS No.: 147269-67-8

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Guide of BENZYL 2-OXO-1,2-DIHYDROPYRIDIN-3-YLCARBAMATE

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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BENZYL 2-OXO-1,2-DIHYDROPYRIDIN-3-YLCARBAMATE

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