Ethyl 2-oxovalerate
- Product Name
- Ethyl 2-oxovalerate
- CAS No.
- 50461-74-0
- Chemical Name
- Ethyl 2-oxovalerate
- Synonyms
- EOS-61374;Ethyl 2-oxovalerate;Ethyl-2-oxo-pentanoate;3-ethyl-2-oxopentanoate;2-Oxovalericacidethylester;2-Oxyvaleric acid ethyl ester;PENTANOICACID,2-OXO-,ETHYLESTER;2-OXO-PENTAROIC ACID ETHYL ESTER;2-OXO-PENTANOIC ACID ETHYL ESTER;2-OXO-PENTAROIC ACID ETHYL ESTER, >95%
- CBNumber
- CB5685169
- Molecular Formula
- C7H12O3
- Formula Weight
- 144.17
- MOL File
- 50461-74-0.mol
Ethyl 2-oxovalerate Property
- Boiling point:
- 182.5°C (estimate)
- Density
- 0.9985
- refractive index
- 1.4170
- storage temp.
- 2-8°C
- solubility
- Chloroform, DMSO, Methanol
- form
- Oil
- color
- Pale yellow
- InChI
- InChI=1S/C7H12O3/c1-3-5-6(8)7(9)10-4-2/h3-5H2,1-2H3
- InChIKey
- YERWBBMSDMSDKT-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C(=O)CCC
- CAS DataBase Reference
- 50461-74-0(CAS DataBase Reference)
Safety
- HS Code
- 2918300090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H290May be corrosive to metals
H314Causes severe skin burns and eye damage
H341Suspected of causing genetic defects
- Precautionary statements
-
P201Obtain special instructions before use.
P202Do not handle until all safety precautions have been read and understood.
P234Keep only in original container.
P260Do not breathe dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P308+P313IF exposed or concerned: Get medical advice/attention.
P363Wash contaminated clothing before reuse.
P390Absorb spillage to prevent material damage.
P405Store locked up.
P406Store in corrosive resistant/… container with a resistant inner liner.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- E925805
- Product name
- Ethyl2-Oxopentanoate
- Packaging
- 2.5g
- Price
- $110
- Updated
- 2021/12/16
- Product number
- E925805
- Product name
- Ethyl2-Oxopentanoate
- Packaging
- 100g
- Price
- $525
- Updated
- 2021/12/16
- Product number
- C490
- Product name
- Ethyl2-oxo-pentanoate
- Packaging
- 1g
- Price
- $10
- Updated
- 2021/12/16
- Product number
- 075286
- Product name
- Ethyl 2-oxovalerate
- Purity
- 95+%
- Packaging
- 5g
- Price
- $52
- Updated
- 2021/12/16
- Product number
- 075286
- Product name
- Ethyl 2-oxovalerate
- Purity
- 95+%
- Packaging
- 25g
- Price
- $131
- Updated
- 2021/12/16
Ethyl 2-oxovalerate Chemical Properties,Usage,Production
Chemical Properties
Light yellow oil liquid
Uses
Ethyl 2-oxopentanoate is used as a reagent to synthesize selective CB1 cannabinoid receptor antagonists. Ethyl 2-oxopentanoate is also used to synthesize derivatives of iminodiacid, an inhibitor of angiotensin converting enzyme.
Synthesis
1821-02-9
50461-74-0
General procedure: 0.1 mole of 2,2-(dimethylthio)pentanoic acid (19.4 g) was dissolved in 150 mL of toluene, 2.0 equivalents of H2O (3.6 mL) and a trace amount of p-toluenesulfonic acid monohydrate were added. The mixture was heated to boiling point and a stream of nitrogen was passed through the glass feed. After refluxing for 3 hours and cooling to 80°C, 200 mL of ethanol and trace amounts of p-toluenesulfonic acid monohydrate were added. Reflow was continued for 3 hours, cooled to 20°C, 200 ml of water was added and extracted three times with diethyl ether (100 ml each time). The ether phases were combined, washed to neutrality with dilute sodium bicarbonate solution and dried over magnesium sulfate. After filtration, the solvent was removed by rotary evaporation to give ethyl 2-oxovalerate (10.2 g, 71% yield) as a light yellow oil.1H NMR (500 MHz, CDCl3): δ=0.97 (t, J=7.3 Hz, 3H), 1.37 (t, J=7.3 Hz, 3H), 1.67 (sext, J=7.3 Hz, 2H). 2.81 (t, J=7.3Hz, 2H), 4.32 (q, J=7.3Hz, 2H).13C NMR (125.8MHz, CDCl3): δ=13.5, 14.0, 16.6, 41.2, 62.3, 161.4, 194.7.
References
[1] Patent: US2009/76302, 2009, A1. Location in patent: Page/Page column 7
Ethyl 2-oxovalerate Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from Ethyl 2-oxovalerate manufacturers
- Product
- Ethyl 2-oxovalerate 50461-74-0
- Price
- US $7.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 1000KG
- Release date
- 2018-08-21