Ethyl 1,2,3,4-tetrahydro-1-oxo-2-naphthalenecarboxylate
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Ethyl 1,2,3,4-tetrahydro-1-oxo-2-naphthalenecarboxylate
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CAS No:
6742-26-3
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Formula:
C13H14O3
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Chemical Name:
Ethyl 1,2,3,4-tetrahydro-1-oxo-2-naphthalenecarboxylate
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Synonyms:
2-Naphthalenecarboxylic acid,1,2,3,4-tetrahydro-1-oxo-,ethyl ester;2-Naphthoic acid,1,2,3,4-tetrahydro-1-oxo-,ethyl ester;Ethyl 1,2,3,4-tetrahydro-1-oxo-2-naphthalenecarboxylate;2-(Ethoxycarbonyl)-1-tetralone;Ethyl 1-tetralone-2-carboxylate;2-(Ethoxycarbonyl)-3,4-dihydro-1(2H)-naphthalenone;NSC 71870;Ethyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate;1-Oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid ethyl ester;Ethyl 1-oxotetralin-2-carboxylate;156152-59-9
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CAS No:
Ethyl 1,2,3,4-tetrahydro-1-oxo-2-naphthalenecarboxylate Basic Attributes
218.25
218.25
71870
DTXSID10290930
2918300090
Ethyl 1,2,3,4-tetrahydro-1-oxo-2-naphthalenecarboxylate Use and Manufacturing
A solution of α-tetralone 6 (11.7 g, 80 mmol) in anhydrous THF (50 mL) was added dropwise to a stirred suspension of NaH (60percent, 6.40 g, 160 mmol) in THF (150 mL) containing diethyl carbonate (18.9 g, 160 mmol) under a nitrogen atmosphere. The mixture was heated at reflux overnight, cooled in an ice-bath and then acidified with 1 M HCl (100 mL). The residue was then extracted with EtTo a stirred suspension of NaH (11 g, 274 mmol, 60percent in oil) in toluene was added dropwise 1-tetralone (20 g, 137 mmol) in toluene (50 mL). After the complete addition, the mixture was heated at reflux for 1 h. Then at 60°C diethylcarbonate was added (24 g, 137 mmol) dropwise and the mixture was again heated at reflux for 2 h. The reaction was quenched with aqueous HCl (4N, 100 mL) and dilute with H
Computed Properties
Molecular Weight:218.25
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:218.094294304
Monoisotopic Mass:218.094294304
Topological Polar Surface Area:43.4
Heavy Atom Count:16
Complexity:285
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Ethyl 1,2,3,4-tetrahydro-1-oxo-2-naphthalenecarboxylate
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