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411485

Sigma-Aldrich

Diisopropyl malonate

ReagentPlus®, 99%

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About This Item

Linear Formula:
(CH3)2CHO2CCH2CO2CH(CH3)2
CAS Number:
13195-64-7
Molecular Weight:
188.22
EC Number:
236-156-3
MDL number:
MFCD00059359
UNSPSC Code:
12352100
PubChem Substance ID:
24865749
NACRES:
NA.22

product line

ReagentPlus®

assay

99%

form

liquid

refractive index

n20/D 1.412 (lit.)

bp

93-95 °C/12 mmHg (lit.)

density

0.991 g/mL at 25 °C (lit.)

SMILES string

CC(C)OC(=O)CC(=O)OC(C)C

InChI

1S/C9H16O4/c1-6(2)12-8(10)5-9(11)13-7(3)4/h6-7H,5H2,1-4H3

InChI key

QRVSDVDFJFKYKA-UHFFFAOYSA-N

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Application

Diisopropyl malonates may be used in the synthesis of :
  • 3-substituted coumarins
  • 2-carboisopropoxy-3-hydroxyquinoxaline-di-N-oxide
  • 2-carboisopropoxy-3-hydroxy-6-methoxylquinoxaline-di-N-oxide

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

192.2 °F - closed cup

flash_point_c

89 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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Yingjun Xu et al.
Molecules (Basel, Switzerland), 16(8), 6894-6901 (2011-08-16)
A series of quinoxaline 1,4-di-N-oxide analogues were prepared from benzofurazan N-oxide derivatives and β-diketone ester compounds by the improved Beirut reaction. The structures of the target products were characterized by NMR, MS, IR and elemental analysis measurements, and that of
A Catalytic Enantioselective Michael Addition of a Simple Malonate to Prochiral a, ?-Unsaturated Ketoses and Aldehydes.
Yamaguchi M, et al.
Angewandte Chemie (International Edition in English), 32(8), 1176-1178 (1993)
H Jinno et al.
Archives of toxicology, 71(9), 550-555 (1997-01-01)
The fungicide isoprothiolane (diisopropyl 1,3-dithiolane-2-ylidenemalonate) decomposes to the diisopropyl esters of malonic acid (DM), chloromalonic acid (DCM) and dichloromalonic acid (DDCM) upon aqueous chlorination. In this study, the cytotoxicity of these compounds was examined using rat hepatocytes cultured on Matrigel.
Use of isopropyl alcohol as a solvent in Ti (O-i-Pr) 4-catalyzed Knoevenagel reactions.
Yamashita K, et al.
Tetrahedron, 61(33), 7981-7985 (2005)

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