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3-tert-Butoxy-3-oxopropanoic acid

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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
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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.)
Flash point:
195 °F
storage temp. 
Sealed in dry,Room Temperature
solubility 
Soluble in ethanol.
form 
Liquid
pka
2.92±0.32(Predicted)
color 
Clear colorless
BRN 
1765457
InChIKey
NGGGZUAEOKRHMA-UHFFFAOYSA-N
CAS DataBase Reference
40052-13-9(CAS DataBase Reference)
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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

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3-tert-Butoxy-3-oxopropanoic acid Usage And Synthesis

Chemical Properties

Clear light yellow liquid

Uses

tert-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.

Uses

Mono-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 Description

Mono-tert-Butyl malonates is an ester. It is reported to be an aminoacylase inhibitor. Preparation of mono-tert-Butyl malonates has been described.

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