All Photos(1)
Linear Formula:
CH3OCOCH2COOC(CH3)3
CAS Number:
Molecular Weight:
174.19
Beilstein:
1772136
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
95%
form
liquid
impurities
5% dimethyl malonate
refractive index
n20/D 1.415 (lit.)
bp
80 °C/11 mmHg (lit.)
density
1.03 g/mL at 25 °C (lit.)
SMILES string
COC(=O)CC(=O)OC(C)(C)C
InChI
1S/C8H14O4/c1-8(2,3)12-7(10)5-6(9)11-4/h5H2,1-4H3
InChI key
XPSYZCWYRWHVCC-UHFFFAOYSA-N
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General description
tert-Butyl methyl malonate is an ester. Stereospecific Pd(O)-catalyzed addition of tert-butyl methyl malonate to allylic carbonates is reported.
WGK
WGK 3
Flash Point(F)
closed cup
Flash Point(C)
closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Bingli Yan et al.
The Journal of organic chemistry, 69(8), 2859-2862 (2004-04-13)
A combination of cross-metathesis and malonate addition was applied to a formal synthesis of the mammalian lignan enterolactone 5. The cross-metathesis of alkene 6 and phosphonate 3a gave the substituted allylic phosphonate 3d. The palladium-catalyzed addition of malonate 10d to
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