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Home > Encyclopedia > 3-Ethoxy-2,2-dimethyl-3-oxopropanoicacid

3-Ethoxy-2,2-dimethyl-3-oxopropanoicacid

3-Ethoxy-2,2-dimethyl-3-oxopropanoicacid structure

3-Ethoxy-2,2-dimethyl-3-oxopropanoicacid 

structure
  • CAS No:

    5471-77-2

  • Formula:

    C7H12O4

  • Chemical Name:

    3-Ethoxy-2,2-dimethyl-3-oxopropanoicacid

  • 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

3-Ethoxy-2,2-dimethyl-3-oxopropanoicacid Basic Attributes

160.17

160.073563

28452

DTXSID00282849

2918990090

Characteristics

63.6

1.1

1.1±0.1 g/cm3

250.5°C at 760 mmHg

97.7±16.1 °C

1.444

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

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