Diethyl Methylmalonate

CAS No. 609-08-5

Formula: C8H14O4
Basic Info

Diethyl methylmalonate is readily used as a moderately bulky nucleophile in organic synthesis. Diethyl methylmalonate is also used as a reagent to synthesize 7-alkylaminopyrazolo[1,5-a]pyrimidines, compounds that have antifungal properties.

Formula
C8H14O4
Molecular Weight
174.194
Exact Mass
174.089
LogP
0.7487
PSA
52.6
Synonyms

Propanedioic acid, methyl-, diethyl ester

diethyl 2-methylpropanedioate

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Properties
Appearance & Physical State
Clear liquid
Density
1.013
Boiling Point
198-199ºC
Flash Point
76ºC
Refractive Index
1.412-1.414
Water Solubility
immiscible
Stability
Stable under normal temperatures and pressures.
Storage Condition
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Info
Safety Statements
S24/25
WGK Germany
3
HS Code
2917190090
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
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IR Spectrum IR : liquid film
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Mass Spectrum Mass spectrum (electron ionization)
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Raman Spectrum Raman : 4880 A,200 M,liquid
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Analysis Methods
Van Den Dool and Kratz RI, polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-Wax
Retention index
1539.
Temperature Control
Method
temperature ramp
Comments
He, 40. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; T<sub>end</sub>: 200. C
Reference
Umano, K.Hagi, Y.Nakahara, K.Shoji, A.Shibamoto, T.Volatile constituents of green and ripened pineapple (Aanas comosus [L.] Merr.)J. Agric. Food Chem.1992, 40, 4, 599-603.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
Methyl Silicone
Retention index
1073.
Temperature Control
Method
custom temperature program
Comments
Program: not specified
Reference
Zenkevich, I.G.Mutual Correlation between Gas-Chromatographic Retention Indices of Organic Compounds from Different SeriesZh. Anal. Khim.1999, 54, 12, 1272-1279.
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