All Photos(1)
Linear Formula:
(CH3)3CCH(COOC2H5)2
CAS Number:
Molecular Weight:
216.27
Beilstein:
1781709
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
96%
form
liquid
refractive index
n20/D 1.425 (lit.)
bp
102-104 °C/11 mmHg (lit.)
density
1.014 g/mL at 25 °C (lit.)
SMILES string
CCOC(=O)C(C(=O)OCC)C(C)(C)C
InChI
1S/C11H20O4/c1-6-14-9(12)8(11(3,4)5)10(13)15-7-2/h8H,6-7H2,1-5H3
InChI key
RJNICNBRGVKNSR-UHFFFAOYSA-N
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Application
Diethyl tert-butylmalonate has been used in the preparation of enantiomers of 4-tert-butyl-3-isopropyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-sulfide (TBIPPS).
WGK
WGK 3
Flash Point(F)
199.4 °F
Flash Point(C)
93 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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X L Ju et al.
Bioorganic & medicinal chemistry, 8(9), 2337-2341 (2000-10-12)
The enantiomers of 4-tert-butyl-3-isopropyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2 ]octane 1-sulfide (TBIPPS) were prepared in nine steps from diethyl tert-butylmalonate, and their abilities to compete with [3H]1-(4-ethynylphenyl)-4-n-propyl-2,6,7-trioxabicyclo[2.2.2 ]octane (EBOB), a noncompetitive antagonist of ionotropic gamma-aminobutyric acid (GABA) receptors, at their binding site were investigated using
Grazia Luisi et al.
Antioxidants (Basel, Switzerland), 8(1) (2018-12-28)
Oxidative damage is among the factors associated with the onset of chronic pathologies, such as neurodegenerative and metabolic diseases. Several classes of anti-oxidant compounds have been suggested as having a protective role against cellular stressors, but, in this perspective, peptides'
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