ethyl 4,4-diethoxy-3-oxobutanoate
- Product Name
- ethyl 4,4-diethoxy-3-oxobutanoate
- CAS No.
- 10495-09-7
- Chemical Name
- ethyl 4,4-diethoxy-3-oxobutanoate
- Synonyms
- 4,4-diethoxy-3-oxyethyl butyrate;ethyl 4,4-diethoxy-3-oxobutanoate;Ethyl 4,4-bis(ethyloxy)-3-oxobutanoate;4,4-Diethoxy-3-oxo-butyricacidethylester;Butanoic acid, 4,4-diethoxy-3-oxo-, ethyl ester
- CBNumber
- CB62597003
- Molecular Formula
- C10H18O5
- Formula Weight
- 218.25
- MOL File
- 10495-09-7.mol
ethyl 4,4-diethoxy-3-oxobutanoate Property
- Boiling point:
- 112 °C(Press: 4-6 Torr)
- Density
- 1.052±0.06 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 9.58±0.46(Predicted)
- Appearance
- Light yellow to yellow Liquid
Safety
- HS Code
- 2918999090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H226Flammable liquid and vapour
- Precautionary statements
-
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233Keep container tightly closed.
P240Ground/bond container and receiving equipment.
P241Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242Use only non-sparking tools.
P243Take precautionary measures against static discharge.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P370+P378In case of fire: Use … for extinction.
P403+P235Store in a well-ventilated place. Keep cool.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- E916215
- Product name
- Ethyl4,4-Diethoxy-3-oxobutanoate
- Packaging
- 50mg
- Price
- $65
- Updated
- 2021/12/16
- Product number
- X5514
- Product name
- Ethyl4,4-diethoxy-3-oxobutanoate
- Packaging
- 5g
- Price
- $564
- Updated
- 2021/12/16
- Product number
- AK-94100
- Product name
- Ethyl4,4-diethoxy-3-oxobutanoate
- Purity
- 95+%
- Packaging
- 5g
- Price
- $410
- Updated
- 2021/12/16
- Product number
- 2129-1-57
- Product name
- 4,4-Diethoxy-3-oxobutyric acid ethyl ester
- Packaging
- 1g
- Price
- $416
- Updated
- 2021/12/16
- Product number
- CHM0392466
- Product name
- ETHYL-4,4-DIETHOXY-3-OXOBUTANOATE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $505.99
- Updated
- 2021/12/16
ethyl 4,4-diethoxy-3-oxobutanoate Chemical Properties,Usage,Production
Synthesis
141-78-6
6065-82-3
10495-09-7
Sodium hydride (5.12 g, 213 mmol) was suspended in anhydrous tetrahydrofuran (250 mL) under argon protection and stirred at 50 °C. Subsequently, a mixture of ethyl acetate (15.3 mL, 156 mmol) and ethyl 2,2-diethoxyacetate (25 mL, 142 mmol) was slowly added dropwise over 30 min. After dropwise addition, the reaction mixture was refluxed for 4 hours, followed by cooling to room temperature and continued stirring for 16 hours. Upon completion of the reaction, the mixture was concentrated to about one-third of the original volume by rotary evaporation, and then a 15% v/v aqueous solution of acetic acid (about 145 mL) was added rapidly at 0 °C. Extraction was carried out with ether (4×100 mL), and the organic phases were combined and washed sequentially with water (1×20 mL), saturated aqueous sodium carbonate solution (3×50 mL), water (2×20 mL), and brine (1×30 mL), and finally dried with anhydrous magnesium sulfate. After concentration under reduced pressure, the target product ethyl 4,4-diethoxy-3-oxobutanoate (Scheme 1, A) was obtained as a clear yellow oil with a keto-enol interconversion isomer ratio of 4:1 (25.05 g, 81% yield). The product was characterized by 1H NMR (300 MHz, CDCl3): δ 1.22-1.30 (m, 9H), 3.53-3.76 (m, 5.6H), 4.19 (q, J = 7.6 Hz, 2H), 4.67 (s, 0.8H), 4.92 (s, 0.2H), 5.45 (s, 0.2H), 11.88 (s, 0.2H ).
References
[1] Patent: WO2010/106016, 2010, A1. Location in patent: Page/Page column 125-126
[2] European Journal of Organic Chemistry, 2013, # 19, p. 3965 - 3969
[3] Patent: WO2007/58582, 2007, A1. Location in patent: Page/Page column 49-50
[4] Journal of Organic Chemistry, 1998, vol. 63, # 5, p. 1668 - 1675
[5] Journal of medicinal chemistry, 1963, vol. 6, p. 283 - 288
ethyl 4,4-diethoxy-3-oxobutanoate Preparation Products And Raw materials
Raw materials
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