689092
Isopropyl acetoacetate
Arxada quality, ≥99.0% (GC)
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About This Item
Linear Formula:
CH3COCH2COOCH(CH3)2
CAS Number:
Molecular Weight:
144.17
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
208-798-4
Beilstein/REAXYS Number:
1757046
MDL number:
Assay:
≥99.0% (GC)
Form:
liquid
Quality Level
assay
≥99.0% (GC)
form
liquid
quality
Arxada quality
manufacturer/tradename
Arxada AG
impurities
≤0.10% acid (as acetic acid), ≤0.10% water, ≤0.5% ethyl acetoacetate
bp
95 °C/52 hPa (lit.)
density
0.989 g/mL at 20 °C (lit.)
SMILES string
CC(C)OC(=O)CC(C)=O
InChI
1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3
InChI key
GVIIRWAJDFKJMJ-UHFFFAOYSA-N
Application
Isopropyl acetoacetate can be used as a reactant to synthesize:
- Isopropyl 2-acetyl-3-phenyl-2-propenoate via Knoevenagel reaction in the presence of Ti(O-i-Pr)4.
- Substituted 1,4-dihydropyridines by reacting with cinnamaldehydes and primary amines.
- 5-Isopropoxycarbonyl-6-methyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-thione via Biginelli reaction with benzaldehyde and thiourea.
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Organocatalytic asymmetric three-component cyclization of cinnamaldehydes and primary amines with 1, 3-dicarbonyl compounds: straightforward access to enantiomerically enriched dihydropyridines
Jiang J, et al.
Angewandte Chemie (International Edition in English), 47(13), 2458-2462 (2008)
Synthesis and biological evaluation of novel isopropyl 2-thiazolopyrimidine-6-carboxylate derivatives
Kotaiah Y, et al.
J. Korean Chem. Soc., 56(1), 68-73 (2012)
Novel Knoevenagel-type reaction via titanium enolate derived from Ti(Oi-Pr)4 and diketene
Hayashi M, et al.
Tetrahedron, 60(32), 6777-6783 (2004)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 689092-230KG | 04061836693121 |
| 689092-25KG | 04061836686536 |
| 689092-1KG | 04061836686529 |