3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid
- Product Name
- 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid
- CAS No.
- 5471-77-2
- Chemical Name
- 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid
- Synonyms
- NSC 28452;DiMethylMalonic Acid Monoethyl Ester;3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid;3-ethoxy-3-keto-2,2-dimethyl-propionic acid;3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid-13;Propanedioic acid, 2,2-dimethyl-, 1-ethyl ester;propanedioic acid, 2,2-dimethyl-, monoethyl ester
- CBNumber
- CB41481909
- Molecular Formula
- C7H12O4
- Formula Weight
- 160.17
- MOL File
- 5471-77-2.mol
3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid Property
- Boiling point:
- 101-102 °C(Press: 0.5 Torr)
- Density
- 1.126±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.00±0.36(Predicted)
- Appearance
- Colorless to off-white Solid-liquid mixture
- InChI
- InChI=1S/C7H12O4/c1-4-11-6(10)7(2,3)5(8)9/h4H2,1-3H3,(H,8,9)
- InChIKey
- WDWFSABLPAHCPF-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C(C)(C)C(O)=O
Safety
- HS Code
- 2917198090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- E893045
- Product name
- 3-Ethoxy-2,2-dimethyl-3-oxopropanoicAcid
- Packaging
- 50mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- OR321466
- Product name
- 3-Ethoxy-2,2-dimethyl-3-oxopropanoicacid
- Purity
- 97%
- Packaging
- 1g
- Price
- $145
- Updated
- 2021/12/16
- Product number
- W6894
- Product name
- 3-Ethoxy-2,2-dimethyl-3-oxopropanoicacid
- Packaging
- 1g
- Price
- $145
- Updated
- 2021/12/16
- Product number
- 072886
- Product name
- 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid
- Purity
- 95+%
- Packaging
- 1g
- Price
- $164
- Updated
- 2021/12/16
- Product number
- W6894
- Product name
- 3-Ethoxy-2,2-dimethyl-3-oxopropanoicacid
- Packaging
- 5g
- Price
- $334
- Updated
- 2021/12/16
3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid Chemical Properties,Usage,Production
Synthesis Reference(s)
Tetrahedron Letters, 15, p. 2721, 1974 DOI: 10.1016/S0040-4039(01)91723-X
Synthesis
1619-62-1
5471-77-2
General procedure for the synthesis of monoethyl 2,2-dimethylmalonate from diethyl 2,2-dimethylmalonate: potassium hydroxide (7.5 g, 131.5 mmol) was added to a solution of diethyl 2,2-dimethylmalonate (25.0 g, 132.8 mmol) in ethanol (100.0 mL). The reaction mixture was stirred at room temperature for 12 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure. The residue was dissolved in water and extracted with ether. The aqueous phase was acidified to pH 4 with aqueous 6N hydrochloric acid and subsequently extracted with ethyl acetate. The ethyl acetate extracts were combined, washed sequentially with water and saturated saline, and dried over anhydrous sodium sulfate. After filtration, the filtrate was concentrated under reduced pressure to give 17.0 g of monoethyl 2,2-dimethylmalonate as an orange liquid. Yield: 80%; MS data: m/z 161 [M + H]+.
References
[1] Patent: WO2007/20936, 2007, A1. Location in patent: Page/Page column 114-115
[2] Patent: US2011/71196, 2011, A1. Location in patent: Page/Page column 31
[3] Journal of Medicinal Chemistry, 2009, vol. 52, # 21, p. 6790 - 6802
[4] Patent: WO2015/95227, 2015, A2. Location in patent: Page/Page column 101; 102
[5] Helvetica Chimica Acta, 1935, vol. 18, p. 1279
3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid manufacturers
- Product
- 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid 5471-77-2
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1Ton
- Release date
- 2022-09-28
- Product
- 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid 5471-77-2
- Price
- US $200.00/kg
- Min. Order
- 10kg
- Purity
- 99%
- Supply Ability
- 500kg/month
- Release date
- 2022-05-05
- Product
- 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid 5471-77-2
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 200kg
- Release date
- 2019-08-30