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Name	Dimethyl 1,3-acetonedicarboxylate	EINECS	217-385-8
CAS No.	1830-54-2	Density	1.175 g/cm³
PSA	69.67000	LogP	-0.31830
Solubility	120 g/L (20 °C) in water	Melting Point	16-17 °C
Formula	C₇H₁₀O₅	Boiling Point	262.1 °C at 760 mmHg
Molecular Weight	174.153	Flash Point	86.8 °C
Transport Information	N/A	Appearance	Colorless or pale yellow liquid
Safety	36/37	Risk Codes	43
Molecular Structure		Hazard Symbols	Xi
Synonyms	Dimethyl 3-oxoglutarate; Dimethyl 3-oxopentanedioate	Article Data	19

Dimethyl 1,3-acetonedicarboxylate Synthetic route

: 16695-14-0
Malonic acid monomethyl ester

: 1830-54-2
3-oxopentanedioic acid dimethyl ester

Conditions

Conditions	Yield
With hydrogenchloride; 1,1'-carbonyldiimidazole In tetrahydrofuran; ethyl acetate	94.3%
With 1,1'-carbonyldiimidazole In N,N-dimethyl-formamide Yield given;

: 67-56-1
methanol

: 77-92-9
citric acid

A: 1830-54-2
3-oxopentanedioic acid dimethyl ester

B: 100009-70-9
dimethyl 2-methoxypropene-1,3-dicarboxylate

C: 20820-77-3
trimethyl aconitate

D: 1587-20-8
trimethyl citrate

E: 105-45-3
acetoacetic acid methyl ester

Conditions

Conditions	Yield
Stage #1: citric acid With chlorosulfonic acid In dichloromethane at 10 - 15℃; for 5 - 6h; Stage #2: methanol In dichloromethane at 3 - 35℃; for 2h; Conversion of starting material;	A 87.3% B n/a C n/a D n/a E n/a

...Expand

: 67-56-1
methanol

: 542-05-2
acetonedicarboxylic acid

: 1830-54-2
3-oxopentanedioic acid dimethyl ester

Conditions

Conditions	Yield
With hydrogenchloride; sulfuric acid; sodium chloride at 36℃; for 3.5h;	70.3%
With hydrogenchloride
With sulfuric acid
With fuming sulphuric acid; citric acid

: 77-92-9
citric acid

: 1830-54-2
3-oxopentanedioic acid dimethyl ester

Conditions

Conditions	Yield
With sulfuric acid; sulfur trioxide Behandeln des Reaktionsgemisches mit Methanol.;

: 105-45-3
acetoacetic acid methyl ester

: 616-38-6
carbonic acid dimethyl ester

: 1830-54-2
3-oxopentanedioic acid dimethyl ester

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran; hexane at -45℃; 1.) 30 min, 2.) 90 min;

: 67-56-1
methanol

: 77-92-9
citric acid

: 1830-54-2
3-oxopentanedioic acid dimethyl ester

Conditions

Conditions	Yield
With sulfuric acid 1.) 20-25 deg C, 3 h; 45 deg C, 6 h, 2.) 35-40 deg C, 1 h; Yield given. Multistep reaction;

: 67-56-1
methanol

4-oxy-6-methoxy-pyrone-(2): 4-oxy-6-methoxy-pyrone-(2)

: 1830-54-2
3-oxopentanedioic acid dimethyl ester

citric acid-1,3-dimethyl ester: citric acid-1,3-dimethyl ester

: 1830-54-2
3-oxopentanedioic acid dimethyl ester

Conditions

Conditions	Yield
With chromium(VI) oxide; sulfuric acid; toluene at 65℃;

: methyl 3-(dicyanomethylene)-5-hydroxy-5-methoxy-4-pentenoate morpholine salt

: 1830-54-2
3-oxopentanedioic acid dimethyl ester

Conditions

Conditions	Yield
With sulfur In methanol for 2h; Heating / reflux; Industry scale;

: 1830-54-2
3-oxopentanedioic acid dimethyl ester

: 74-88-4
methyl iodide

: 214116-49-1
dimethyl 1,3-dimethyl-1,3-acetonedicarboxylate

Conditions

Conditions	Yield
With potassium carbonate In tetrahydrofuran at 45 - 60℃; for 1h;	100%
With potassium carbonate In tetrahydrofuran at 27℃; for 16h; Cooling with ice;	86%
With methanol; sodium

Dimethyl 1,3-acetonedicarboxylate Chemical Properties

Molecular Structure of Dimethyl acetone-1,3-dicarboxylate (CAS NO.1830-54-2):

IUPAC Name: dimethyl 3-oxopentanedioate
Empirical Formula: C₇H₁₀O₅
Molecular Weight: 174.1513
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 69.67Å²
Index of Refraction: 1.427
Molar Refractivity: 38.05 cm³
Molar Volume: 148.1 cm³
Surface Tension: 36.8 dyne/cm
Density: 1.175 g/cm³
Flash Point: 86.8 °C
Enthalpy of Vaporization: 49.98 kJ/mol
Boiling Point: 262.1 °C at 760 mmHg
Vapour Pressure: 0.0111 mmHg at 25°C
Melting point: 16-17°C
Storage temp: 2-8°C
Water Solubility: 120 g/L (20 ºC)
BRN: 1366042
InChI
InChI=1/C7H10O5/c1-11-6(9)3-5(8)4-7(10)12-2/h3-4H2,1-2H3
Smiles
O=C(OC)CC(=O)CC(=O)OC
EINECS: 217-385-8
Product Categories: Pharmaceutical Intermediates; straight chain compounds; Aromatic Esters; API

Dimethyl 1,3-acetonedicarboxylate Safety Profile

Hazard Codes: Xi
Risk Statements: 43
R43:May cause sensitization by skin contact.
Safety Statements: 36/37
S36/37:Wear suitable protective clothing and gloves.
WGK Germany: 1
Hazard Note: Irritant

Dimethyl 1,3-acetonedicarboxylate Specification

Dimethyl acetone-1,3-dicarboxylate , with CAS number of 1830-54-2, can be called Acetone dicarboxylic acid, dimethyl ester ; Dimethyl 3-oxoglutarate ; Dimethyl 3-oxopentanedioate ; Dimethyl acetonedicarboxylate ; Dimethyl beta-oxoglutarate ; Glutaric acid, 3-oxo-, dimethyl ester . It is a colorless to yellowish, Dimethyl acetone-1,3-dicarboxylate (CAS NO.1830-54-2) is used as intermediate for the syntheses of organic chemicals.

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