ethyl 2.4-dioxo-4-p-tolylbutanoate
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ethyl 2.4-dioxo-4-p-tolylbutanoate
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CAS No:
5814-37-9
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Formula:
C13H14O4
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Chemical Name:
ethyl 2.4-dioxo-4-p-tolylbutanoate
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Synonyms:
ethyl 2.4-dioxo-4-p-tolylbutanoate;Benzenebutanoic acid, 4-Methyl-.alpha.,.gaMMa.-dioxo-, ethyl ester;Ethyl 4-Methyl-a,g-dioxo-benzenebutanoate;Ethyl 2,4-dioxo-4-(p-tolyl)
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CAS No:
ethyl 2.4-dioxo-4-p-tolylbutanoate Use and Manufacturing
(1) In a 250 ml three-necked flask, Add 24 g (0.348 mol) of sodium ethoxide and 200 mL of dry toluene.Stir, Add dropwise (30 minutes dropwise) 45.6g (0.34mol)Uniform mixing of 4-methylacetophenone and 51.0 g (0.348 mol) of diethyl oxalateThe solution is heated to 50 to 60 ° C after the dropwise addition.The reaction was stirred for 4 h.Cool to room temperature, Wash with 5percent dilute hydrochloric acid solution, And adjust the PH value to 5 to 6, Liquid separation, Collecting the toluene layer, Dry with anhydrous sodium sulfate for 30 minutes.filter, The filtrate pump is distilled under reduced pressure to recover toluene.The residue was recrystallized from 95percent ethanol to give Intermediate 1 (purity: 99.1percent) 73.3 g.The yield was 92percent.
Computed Properties
Molecular Weight:234.25
XLogP3:2.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:234.08920892
Monoisotopic Mass:234.08920892
Topological Polar Surface Area:60.4
Heavy Atom Count:17
Complexity:301
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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ethyl 2.4-dioxo-4-p-tolylbutanoate
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