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Cas Database

Name	Diethyl ethylmalonate	EINECS	205-093-3
CAS No.	133-13-1	Density	1.02 g/cm³
PSA	52.60000	LogP	1.13880
Solubility	immiscible with water	Melting Point	0 °C
Formula	C₉H₁₆O₄	Boiling Point	211.7 °C at 760 mmHg
Molecular Weight	188.224	Flash Point	88.3 °C
Transport Information	N/A	Appearance	Clear, colorless liquid.
Safety	24/25-36-26	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	Malonicacid, ethyl-, diethyl ester (6CI,7CI,8CI);Propanedioic acid, ethyl-, diethylester (9CI);2-Ethylmalonic acid diethyl ester;Diethyl 2-ethylmalonate;Diethyl a-ethylmalonate;Ethylpropanedioic acid diethyl ester;NSC 8706;	Article Data	85

Diethyl ethylmalonate Synthetic route

: 75-03-6
ethyl iodide

: 105-53-3
diethyl malonate

: 133-13-1
ethyl diethyl malonate

Conditions

Conditions	Yield
With P(MeNCH2CH2)3N In hexane; acetonitrile at 25℃; for 0.5h;	92%
With silver(l) oxide
With ethanol; magnesium ethylate

: 74-96-4
ethyl bromide

: 105-53-3
diethyl malonate

: 133-13-1
ethyl diethyl malonate

Conditions

Conditions	Yield
With potassium carbonate; N-benzyl-N,N,N-triethylammonium chloride In N,N-dimethyl-formamide at 60℃; for 4h;	90%
With potassium carbonate; N-benzyl-N,N,N-triethylammonium chloride In N,N-dimethyl-formamide at 60℃; for 4h; Product distribution; other solvent, other temperature, other reaction time;	90%
With sodium acetylide In benzene at 20 - 25℃; for 0.5h; further reagent (sodium phenylacetylide);	89%

: 1559-02-0
diethyl cyclopropane-1,1-dicarboxylate

: 133-13-1
ethyl diethyl malonate

Conditions

Conditions	Yield
With samarium diiodide; tris(dibenzoylmethano)iron(III); tert-butyl alcohol In tetrahydrofuran for 0.5h; Ambient temperature;	89%
With hydrogen; palladium on activated charcoal In methanol Product distribution;
With (5,10,15,20-tetrakis-4-tolylporphyrinato)(methyl)rhodium(III); isopropyl alcohol In benzene-d6 at 200℃; for 48h; Darkness; Sealed tube; regioselective reaction;	14 %Spectr.

: 1462-12-0
diethyl ethylidenemalonate

: 88626-90-8
BuMnCl

A: 82297-04-9
diethyl (1-methyl-pentyl)malonate

B: 133-13-1
ethyl diethyl malonate

Conditions

Conditions	Yield
In tetrahydrofuran at -30℃; for 2h;	A 87% B 6%

: 1462-12-0
diethyl ethylidenemalonate

: 62485-87-4
butyl-iodo-manganese

A: 82297-04-9
diethyl (1-methyl-pentyl)malonate

B: 133-13-1
ethyl diethyl malonate

Conditions

Conditions	Yield
In diethyl ether at -30℃; for 2h;	A 83% B 11%

: 1462-12-0
diethyl ethylidenemalonate

: C12H27Mn(1-)*Cl(1-)*Mg(2+)

A: 82297-04-9
diethyl (1-methyl-pentyl)malonate

B: 133-13-1
ethyl diethyl malonate

Conditions

Conditions	Yield
In tetrahydrofuran at -30℃; for 2h;	A 82% B 12%

: 1462-12-0
diethyl ethylidenemalonate

: C12H27Mn

A: 82297-04-9
diethyl (1-methyl-pentyl)malonate

B: 133-13-1
ethyl diethyl malonate

Conditions

Conditions	Yield
In tetrahydrofuran at -30℃; for 2h;	A 82% B 8%

: 1462-12-0
diethyl ethylidenemalonate

: lithium tri-n-butylmanganate

A: 82297-04-9
diethyl (1-methyl-pentyl)malonate

B: 133-13-1
ethyl diethyl malonate

Conditions

Conditions	Yield
In tetrahydrofuran at -30℃; for 2h;	A 80% B 7%

: 109-72-8, 29786-93-4
n-butyllithium

: 1462-12-0
diethyl ethylidenemalonate

: 917-65-7
methylaluminum dichloride

A: 759-36-4
diethyl isopropylmalonate

B: 82297-04-9
diethyl (1-methyl-pentyl)malonate

C: 133-13-1
ethyl diethyl malonate

Conditions

Conditions	Yield
Stage #1: n-butyllithium; methylaluminum dichloride In hexane; toluene at -40℃; for 1h; Substitution; Stage #2: With boron trifluoride diethyl etherate In hexane; toluene for 1h; Addition; Stage #3: diethyl ethylidenemalonate In hexane; toluene at -40℃; for 18h; Reduction; Michael addition;	A 7 % Chromat. B 74% C 6 % Chromat.

...Expand

: 1462-12-0
diethyl ethylidenemalonate

: 105486-13-3
C3H7ClMn

A: 759-29-5
diethyl 2-(3-methylbutan-2-yl)malonate

B: 133-13-1
ethyl diethyl malonate

Conditions

Conditions	Yield
In tetrahydrofuran at -30℃; for 2h;	A 70% B 11%

Diethyl ethylmalonate Chemical Properties

Molecular Structure:

Molecular Formula: C₉H₁₆O₄
Molecular Weight: 188.2209
IUPAC Name: Diethyl 2-ethylpropanedioate
Synonyms of Propanedioicacid, 2-ethyl-, 1,3-diethyl ester (CAS NO.133-13-1): AI3-19481 ; Diethyl 2-ethylmalonate ; Diethyl ethylmalonate ; EINECS 205-093-3 ; NSC 8706 ; Malonic acid, ethyl-, diethyl ester (8CI) ; Propanedioic acid, ethyl-, diethyl ester
CAS NO: 133-13-1
Classification Code: Pharmaceutical Intermediates ; TheMalonateRamificationProducts ; C8 to C9 ; Carbonyl Compounds ; Esters
Melting point: 0°C
Index of Refraction: 1.425
Molar Refractivity: 47.25 cm³
Molar Volume: 184.4 cm³
Surface Tension: 31.5 dyne/cm
Density: 1.02 g/cm³
Flash Point: 88.3 °C
Enthalpy of Vaporization: 44.8 kJ/mol
Boiling Point: 211.7 °C at 760 mmHg
Vapour Pressure: 0.18 mmHg at 25°C

Diethyl ethylmalonate Uses

Propanedioicacid, 2-ethyl-, 1,3-diethyl ester (CAS NO.133-13-1) is used as the medicine raw material and the agricultural chemicals intermediate.

Diethyl ethylmalonate Safety Profile

Hazard Codes of Propanedioicacid, 2-ethyl-, 1,3-diethyl ester (CAS NO.133-13-1): Irritant Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36-26
S24/25: Avoid contact with skin and eyes.
S36: Wear suitable protective clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 2
HS Code: 29171990

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