3-Furanpropanoic acid, b-oxo-, ethyl ester supplier

Name
ETHYL 3-OXO-3-(FURAN-3-YL)PROPANOATE
EINECS
CAS No. 36878-91-8
Article Data10
CAS DataBase
Density 1.162 g/cm³
Solubility
Melting Point
Formula C₉H₁₀O₄
Boiling Point 268 °C at 760 mmHg
Molecular Weight 182.176
Flash Point 99.3 °C
Transport Information
Appearance clear colorless to orange liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Furanpropionicacid, b-oxo-, ethyl ester (6CI);3-(Furan-3-yl)-3-oxopropanoic acid ethyl ester;3-(Furan-3-yl)-3-oxopropionicacid ethyl ester;Ethyl 3-(3-furyl)-3-oxopropanoate;Ethyl3-(3-furyl)-3-oxopropionate;Ethyl 3-furoylacetate;Ethyl3-oxo-3-(3-furanyl)propanoate;Ethyl 3-oxo-3-(3-furyl)propionate;NSC 350548;
PSA 56.51000
LogP 1.41550

3-Furanpropanoic acid, b-oxo-, ethyl ester Specification

The 3-Furanpropanoic acid, b-oxo-, ethyl ester, with the CAS registry number 36878-91-8, is also known as Ethyl 3-(3-furyl)-3-oxopropanoate. It belongs to the product categories of Building Blocks; Furans; Heterocyclic Building Blocks. This chemical's molecular formula is C₉H₁₀O₄ and molecular weight is 182.17. What's more, its IUPAC name is Ethyl 3-(furan-3-yl)-3-oxopropanoate.

Physical properties about 3-Furanpropanoic acid, b-oxo-, ethyl ester are: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 56.51 Å²; (7)Index of Refraction: 1.476; (8)Molar Refractivity: 44.25 cm³; (9)Molar Volume: 156.7 cm³; (10)Polarizability: 17.54×10^-24 cm³; (11)Surface Tension: 38.5 dyne/cm; (12)Density: 1.162 g/cm³; (13)Flash Point: 99.3 °C; (14)Enthalpy of Vaporization: 50.6 kJ/mol; (15)Boiling Point: 268 °C at 760 mmHg; (16)Vapour Pressure: 0.00791 mmHg at 25 °C.

Uses of 3-Furanpropanoic acid, b-oxo-, ethyl ester: it is used to produce other chemicals. For example, it is used to produce 3-Furan-3-yl-N-(3-methoxy-phenyl)-3-oxo-propionamide by heating. The reaction needs reagent Pyridine and solvent Xylene. The yield is about 45 %.

3-Furanpropanoic acid, b-oxo-, ethyl ester can react with 3-Methoxy-aniline to get 3-Furan-3-yl-N-(3-methoxy-phenyl)-3-oxo-propionamide.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccoc1)CC(=O)OCC
(2) InChI: InChI=1/C9H10O4/c1-2-13-9(11)5-8(10)7-3-4-12-6-7/h3-4,6H,2,5H2,1H3
(3) InChIKey: OVPIQFGJQAQWAJ-UHFFFAOYAQ

Product Name

ETHYL 3-OXO-3-(FURAN-3-YL)PROPANOATE

3-Furanpropanoic acid, b-oxo-, ethyl ester Specification

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