Diethyl chloromalonate

CAS NO.：14064-10-9
Empirical Formula: C7H11ClO4
Molecular Weight: 194.61
MDL number: MFCD00009140
EINECS: 237-913-0
SAFETY DATA SHEET (SDS)
Update Date: 2025-01-27 09:38:02

What is Diethyl chloromalonate?

Chemical properties

Diethyl chloromalonate is a clear Colourless Liquid, it participates in K2CO3-catalyzed domino reactions (Michael alkylation, Mannich alkylation, and aldol alkylation) of salicylic aldehyde derivatives to afford functionalized 2,3-dihydrobenzofurans. It reacts with Cs2CO3 in the presence of elemental S8 or Sen to afford the corresponding diethyl thioxo- or selenoxomalonates.

The Uses of Diethyl chloromalonate

Diethyl chloromalonate is a compound used in the models of aquatic toxicity developed

The Uses of Diethyl chloromalonate

A compound used in the models of aquatic toxicity developed (QSAR). Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis.

General Description

Diethyl chloromalonate (Diethyl α-chloromalonate) is a 2-halo-1,3-dicarbonyl compound. It participates in K₂CO₃-catalyzed domino reactions (Michael alkylation, Mannich alkylation, and aldol alkylation) of salicylic aldehyde derivatives to afford functionalized 2,3-dihydrobenzofurans. It reacts with Cs₂CO₃ in the presence of elemental S₈ or Se_n to afford the corresponding diethyl thioxo- or selenoxomalonates, which can be trapped in situ with various 1,3-dienes.

Properties of Diethyl chloromalonate

Boiling point:	279.11°C (rough estimate)
Density	1.204 g/mL at 25 °C (lit.)
refractive index	n20/D 1.432(lit.)
Flash point:	>230 °F
storage temp.	Inert atmosphere,2-8°C
solubility	Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form	Liquid
pka	9.07±0.46(Predicted)
Specific Gravity	1.204
color	Clear colorless
CAS DataBase Reference	14064-10-9(CAS DataBase Reference)
EPA Substance Registry System	Propanedioic acid, 2-chloro-, 1,3-diethyl ester (14064-10-9)

Safety information for Diethyl chloromalonate

Signal word	Danger
Pictogram(s)	Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07 Environment GHS09
GHS Hazard Statements	H314:Skin corrosion/irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H400:Hazardous to the aquatic environment, acute hazard
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.