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278041

Sigma-Aldrich

Diethyl tert-butylmalonate

96%

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About This Item

Linear Formula:
(CH3)3CCH(COOC2H5)2
CAS Number:
759-24-0
Molecular Weight:
216.27
Beilstein:
1781709
EC Number:
212-067-5
MDL number:
MFCD00009152
UNSPSC Code:
12352100
PubChem Substance ID:
24856503
NACRES:
NA.22

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.)

functional group

ester

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).

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

199.4 °F - closed cup

Flash Point(C)

93 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW5405
MKCS1492
MKBW5507V
MKBT8541V
MKBT7413V

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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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