ethyl 4-(2-chloropyriMidin-4-yl)benzoate
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ethyl 4-(2-chloropyriMidin-4-yl)benzoate
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CAS No:
499195-60-7
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Formula:
C13H11ClN2O2
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Chemical Name:
ethyl 4-(2-chloropyriMidin-4-yl)benzoate
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Synonyms:
ethyl 4-(2-chloropyriMidin-4-yl)benzoate;Ethyl 4-(2-chloro-4-pyrimidinyl)benzoate;Benzoic acid, 4-(2-chloro-4-pyrimidinyl)-, ethyl ester
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CAS No:
ethyl 4-(2-chloropyriMidin-4-yl)benzoate Use and Manufacturing
Synthesis of Compound 3; A mixture of 4-ethoxycarbonylphenyl boronic acid (23.11 g, 119 mmol), 2, 4- dichloropyrimidine (16.90 g, 113 mmol), toluene (230 mL) and aqueous sodium carbonate (2 M, 56 mL) was stirred vigorously and nitrogen was bubbled through the suspension for 15 minutes. Tetrakis(triphenylphosphine)palladium[0] (2.61 g, 2.26 mmol) was added. Nitrogen was bubbled through for another 10 min., the mixture was heated to 100°C, then at 75°C overnight. The mixture was cooled, diluted with ethyl acetate (200 mL), water (100 mL) was added and the layers were separated. The aqueous layer was extracted with ethyl acetate (100 ml) and the two organic extracts were combined. The organics were washed with brine, filtered through sodium sulfate, Ester 1 : Preparation of Ethyl 4-(2-chloropyrimidin-4-yl)benzoate. To a solution of 2, 4-dichloropyrimidine [70 g, 470 mmol] in DMF [600 mL] was added (PPh
Computed Properties
Molecular Weight:262.69
XLogP3:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:262.0509053
Monoisotopic Mass:262.0509053
Topological Polar Surface Area:52.1
Heavy Atom Count:18
Complexity:280
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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ethyl 4-(2-chloropyriMidin-4-yl)benzoate
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