3-Ethoxy-2,2-dimethyl-3-oxopropanoicacid
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3-Ethoxy-2,2-dimethyl-3-oxopropanoicacid
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CAS No:
5471-77-2
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Formula:
C7H12O4
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Chemical Name:
3-Ethoxy-2,2-dimethyl-3-oxopropanoicacid
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Synonyms:
NSC 28452;DiMethylMalonic Acid Monoethyl Ester;3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid;3-ethoxy-3-keto-2,2-dimethyl-propionic acid;3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid-13
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CAS No:
3-Ethoxy-2,2-dimethyl-3-oxopropanoicacid Basic Attributes
160.17
160.073563
28452
DTXSID00282849
2918990090
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-Ethoxy-2,2-dimethyl-3-oxopropanoicacid Use and Manufacturing
Potassium hydroxide (7.5 g, 131.5 mmol) is added to a solution of Compound 46 (25.0 g, 132.8 mmol) in 100.0 mL of ethanol. The solution is stirred at rom temperature for 12 h, the solvent is removed under reduced pressure. The obtained solid is dissolved in water and extracted with diethyl ether; the aqueous layer is acidified with 6N aqueous HCl solution to pH 4 and then extracted with ethyl acetate. The combined ethyl acetate layers are washed with water, brine, dried over anhydrous NaStep 2. To a solution of compound 19-2 (3.0 g, 15.94 mmol) in EtOH (20 mL) was added aq. KOH solution (85percent, 894 mg, 15.94 mmol). The reaction mixture was heated at reflux for 1 h. After organic solvent was removed under reduced pressure, it was diluted with H
Computed Properties
Molecular Weight:160.17
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:160.07355886
Monoisotopic Mass:160.07355886
Topological Polar Surface Area:63.6
Heavy Atom Count:11
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
3-Ethoxy-2,2-dimethyl-3-oxopropanoicacid
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