3-tert-Butoxy-3-oxopropanoic acid

3-tert-Butoxy-3-oxopropanoic acid Basic information
Product Name:3-tert-Butoxy-3-oxopropanoic acid
Synonyms:3-(tert-Butoxy)-3-oxopropanoic acid;Propanedioic acid mono(1,1-dimethylethyl) ester;tert-Butyl hydrogen malonate, 97%;3-tert-Butoxy-3-oxop;Propanedioic acid, 1-(1,1-diMethylethyl) ester;Mono-tert-butyl Malonate, 95+%;3-(tert-Butoxy)-3-oxopropanoic acid, 3-(tert-Butoxy)-3-oxopropionic acid;mono-(tert-Butyl) malonate 95%
CAS:40052-13-9
MF:C7H12O4
MW:160.17
EINECS:628-204-0
Product Categories:Building Blocks;C6 to C7;C6 to C7;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks;Carbonyl Compounds;Esters;bc0001
Mol File:40052-13-9.mol
3-tert-Butoxy-3-oxopropanoic acid Structure
3-tert-Butoxy-3-oxopropanoic acid Chemical Properties
Melting point 19-20 °C (lit.)
Boiling point 90 °C/2 mmHg (lit.)
density 1.04 g/mL at 25 °C (lit.)
refractive index n20/D 1.426(lit.)
Fp 195 °F
storage temp. Sealed in dry,Room Temperature
solubility Soluble in ethanol.
pka2.92±0.32(Predicted)
form Liquid
color Clear colorless
BRN 1765457
InChIKeyNGGGZUAEOKRHMA-UHFFFAOYSA-N
CAS DataBase Reference40052-13-9(CAS DataBase Reference)
Safety Information
Hazard Codes T
Risk Statements 26-34
Safety Statements 26-27-36/37/39-45
RIDADR UN 2922 8/PG 3
WGK Germany 3
PackingGroup 
HS Code 29171900
MSDS Information
ProviderLanguage
SigmaAldrich English
3-tert-Butoxy-3-oxopropanoic acid Usage And Synthesis
Chemical PropertiesClear light yellow liquid
Usestert-Butyl hydrogen malonate may be used in the preparation of dendritic precursor to asymmetric methanofullerenes, hapten-3,6-(O,S-dimethylthiophosphoramido)-6-oxohexanoic acid, hapten-4,3-(O,S-dimethylthiophosphoramido)-3-oxopropanoic acid.
UsesMono-tert-Butyl malonates may be used in the preparation of the following:
  • dendritic precursor to asymmetric methanofullerenes
  • hapten-3,6-(O,S-dimethylthiophosphoramido)-6-oxohexanoic acid
  • hapten-4,3-(O,S-dimethylthiophosphoramido)-3-oxopropanoic acid
General DescriptionMono-tert-Butyl malonates is an ester. It is reported to be an aminoacylase inhibitor. Preparation of mono-tert-Butyl malonates has been described.
3-tert-Butoxy-3-oxopropanoic acid Preparation Products And Raw materials
Preparation ProductsE-Caffeic acid-t-butyl ester-->TERT-BUTYL 4-METHYL-3-OXOPENTANOATE-->Propanoic acid, 3-amino-3-oxo-, 1,1-dimethylethyl ester
Diisopropyl malonate Dimethyl malonate Diethyl malonate Malonic acid Z-D-GLA(OTBU)2-OH Ethyl 2-(Chlorosulfonyl)acetate 3-tert-Butoxy-3-oxopropanoic acid Ascoric Acid Tris(trimethylsilyl)phosphate Folic acid tert-Butanol Diethyl methylmalonate FMOC-TYR(MALONYL-DI-OTBU)-OH BUTYL OLEATE 4,5,5-TRIMETHYL-2-OXO-2,5-DIHYDRO-FURAN-3-CARBOXYLIC ACID ETHYL ESTER Methyl acrylate Dimethyl succinate Citric acid

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