Ethyl 3-oxo-3-(thiophen-2-yl)propanoate supplier

Name
3-OXO-3-THIOPHEN-2-YL-PROPIONIC ACID ETHYL ESTER
EINECS
CAS No. 13669-10-8
Article Data60
CAS DataBase
Density 1.212 g/cm³
Solubility
Melting Point 24 °C(Solv: ethyl ether (60-29-7))
Formula C₉H₁₀O₃S
Boiling Point 291 °C at 760 mmHg
Molecular Weight 198.243
Flash Point 129.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Thiophenepropionicacid, b-oxo-, ethyl ester (6CI,8CI);3-Oxo-3-(2-thienyl)propionic acid ethyl ester;Ethyl (thiophene-2-carbonyl)acetate;Ethyl 2-(thiophen-2-oyl)acetate;Ethyl 2-[(thien-2-yl)carbonyl]acetate;Ethyl3-(2-thienyl)-3-oxopropanoate;Ethyl 3-oxo-3-(2-thienyl)propanoate;Ethyl3-oxo-3-(2-thienyl)propionate;Ethyl 3-oxo-3-(thiophen-2-yl)propionate;Ethyl a-thienoylacetate;NSC 80416;
PSA 71.61000
LogP 1.88400

Ethyl 3-oxo-3-(thiophen-2-yl)propanoate Specification

The Ethyl 3-oxo-3-(thiophen-2-yl)propanoate, with the CAS registry number 13669-10-8, is also known as 2-Thiophenepropanoic acid, β-oxo-, ethyl ester. This chemical's molecular formula is C₉H₁₀O₃S and molecular weight is 198.24. What's more, its IUPAC name is Ethyl 3-oxo-3-thiophen-2-ylpropanoate and systematic name is called Ethyl 3-oxo-3-(thiophen-2-yl)propanoate.

Physical properties about this chemical are: (1) ACD/LogP: 1.46; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 5; (6) Polar Surface Area: 71.61 Å²; (7) Index of Refraction: 1.528; (8) Molar Refractivity: 50.33 cm³; (9) Molar Volume: 163.4 cm³; (10) Surface Tension: 43.4 dyne/cm; (11) Density: 1.212 g/cm³; (12) Flash Point: 129.8 °C; (13) Enthalpy of Vaporization: 53.05 kJ/mol; (14) Boiling Point: 291 °C at 760 mmHg; (15) Vapour Pressure: 0.002 mmHg at 25 °C.

Uses of Ethyl 3-oxo-3-(thiophen-2-yl)propanoate: it is used to produce other chemicals. For example, it is used to produce 5-Hydroxy-4,7-dioxo-4,7-dihydro-benzo[b]thiophene-6-carboxylic acid ethyl ester.

This reaction needs reagent AlCl₃ and solvent Nitromethane at temperature of 80 °C. The reaction time is 3 hours. The yield is 85 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1sccc1)CC(=O)OCC
(2) InChI: InChI=1/C9H10O3S/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h3-5H,2,6H2,1H3
(3) InChIKey: VKSDKUXHVLZDHO-UHFFFAOYAS

Product Name

3-OXO-3-THIOPHEN-2-YL-PROPIONIC ACID ETHYL ESTER

Ethyl 3-oxo-3-(thiophen-2-yl)propanoate Specification

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