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Cas Database |
| Name |
Diethyl butylmalonate |
EINECS | 205-089-1 |
| CAS No. | 133-08-4 | Density | 0.994 g/cm3 |
| PSA | 52.60000 | LogP | 1.91900 |
| Solubility | 330mg/L at 20℃ | Melting Point |
119oC |
| Formula | C11H20O4 | Boiling Point | 237.5 °C at 760 mmHg |
| Molecular Weight | 216.277 | Flash Point | 93.9 °C |
| Transport Information | N/A | Appearance | clear colourless liquid |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Malonicacid, butyl-, diethyl ester (6CI,7CI,8CI);Propanedioic acid, butyl-, diethylester (9CI);Butylmalonic acid diethyl ester;Butylpropanedioic acid diethylester;Diethyl 2-butylmalonate;Diethyl n-butylmalonate;Diethyl a-butylmalonate;Ethylbutylmalonate;NSC 4565; |
Article Data | 65 |
Diethyl butylmalonate Synthetic route
| Conditions | Yield |
|---|---|
| With potassium carbonate; perhydrodibenzo-18-crown-6; Aliquat In toluene at 80℃; for 5h; | 92% |
| With 18-crown-6 ether; Hexamethyldisiloxane; Aliquat 336; potassium carbonate at 90℃; for 4h; Solvent; Inert atmosphere; Green chemistry; | 88% |
| With sodium ethanolate In ethanol for 2h; Heating; | 87% |
| Conditions | Yield |
|---|---|
| Stage #1: diethyl malonate With copper(l) chloride for 1.5h; Large scale; Stage #2: N-butylamine for 10h; Time; Reflux; Large scale; | 92% |
- 109-65-9
1-bromo-butane
- 105-53-3
diethyl malonate
A
- 596-75-8
diethyl dibutylmalonate
B
- 133-08-4
diethyl butylmalonate
| Conditions | Yield |
|---|---|
| With sodium ethanolate In ethanol | A 4% B 75% |
| tetrabutyl phosphonium bromide; potassium carbonate at 170℃; under 20 Torr; Product distribution; other catalysts, other compounds, other products; |
| Conditions | Yield |
|---|---|
| With tributylphosphine; 4,7-dimethyl-3,5,7-hexahydro-1,2,4,7-tetrazocin-3,8-dione In benzene for 24h; Ambient temperature; | 64% |
| With tributylphosphine; 1,1'-azodicarbonyl-dipiperidine In benzene 1) 0 deg C, 10 min, 2) RT, 24 h; | 21% |
- 109-65-9
1-bromo-butane
- 996-82-7, 34727-00-9, 73177-21-6
sodium diethylmalonate
- 133-08-4
diethyl butylmalonate
| Conditions | Yield |
|---|---|
| With ethanol Darst.; |
- 13937-11-6
diethyl butylidenemalonate
- 133-08-4
diethyl butylmalonate
| Conditions | Yield |
|---|---|
| With ethanol; nickel under 73550.8 - 95616 Torr; Hydrogenation; | |
| With palladium on activated charcoal; ethanol under 73550.8 - 147102 Torr; Hydrogenation; | |
| With diethyl ether; nickel under 73550.8 - 95616 Torr; Hydrogenation; |
| Conditions | Yield |
|---|---|
| With sodium ethanolate at 50 - 60℃; under 100 Torr; unter Abdestillieren des entstehenden Aethanols und Erhitzen des Reaktinsprodukts unter vermindertem Druck auf 160grad; |
- 123-66-0
Ethyl hexanoate
- 105-58-8
Diethyl carbonate
A
- 596-76-9
ethyl-butyl-malonic acid diethyl ester
B
- 133-08-4
diethyl butylmalonate
| Conditions | Yield |
|---|---|
| With sodium ethanolate | |
| With sodium ethanolate |
Diethyl butylmalonate Chemical Properties
Molecular Structure:
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Molecular Formula: C11H20O4
Molecular Weight: 216.2741
IUPAC Name: Diethyl 2-butylpropanedioate
Synonyms of Propanedioic acid,2-butyl-, 1,3-diethyl ester (CAS NO.133-08-4): AI3-06356 ; EINECS 205-089-1 ; Diethyl butylmalonate ; Propanedioic acid, butyl-, diethyl ester
CAS NO: 133-08-4
Classification Code: Pharmaceutical Intermediates ; TheMalonateRamificationProducts ; C10 to C11 ; Carbonyl Compounds ; Esters
Index of Refraction: 1.433
Molar Refractivity: 56.51 cm3
Molar Volume: 217.4 cm3
Surface Tension: 31.8 dyne/cm
Density: 0.994 g/cm3
Flash Point: 93.9 °C
Enthalpy of Vaporization: 47.43 kJ/mol
Boiling Point: 237.5 °C at 760 mmHg
Vapour Pressure: 0.0447 mmHg at 25°C
Diethyl butylmalonate Uses
Propanedioic acid,2-butyl-, 1,3-diethyl ester (CAS NO.133-08-4) is used as the organic synthesis intermediate, it is mainly used in the medicine manufacture, it is always a fever medicine and so on analgesic phenylbutazone raw materials.
Diethyl butylmalonate Safety Profile
Safety Statements of Propanedioic acid,2-butyl-, 1,3-diethyl ester (CAS NO.133-08-4): 24/25
S24/25: Avoid contact with skin and eyes.
WGK Germany: 1
HS Code: 29171990
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