Ethyl 3-(2-furyl)-3-oxopropanoate

Base Information

• Chemical Name: Ethyl 3-(2-furyl)-3-oxopropanoate
• CAS No.: 615-09-8
• Molecular Formula: C9H10O4
• Molecular Weight: 182.176
• Hs Code.: 2932190090
• European Community (EC) Number: 811-262-8
• DSSTox Substance ID: DTXSID30374701
• Nikkaji Number: J524.321A
• Wikidata: Q72475021
• Mol file: 615-09-8.mol

Synonyms:615-09-8;Ethyl 3-(2-furyl)-3-oxopropanoate;ethyl 3-(furan-2-yl)-3-oxopropanoate;3-Furan-2-yl-3-oxo-propionic acid ethyl ester;ethyl 3-furan-2-yl-3-oxo-propionate;MFCD00122473;ethyl 3-(2-furyl)-3-oxo-propanoate;2-Furoylacetic acid ethyl ester;2-Furanpropanoic acid, .beta.-oxo-, ethyl ester;Ethyl 2-furoylacetate;ethyl beta-oxo-2-furanpropionate;ethyl 3-(2-furyl)-3-ketopropionate;ethyl (2-furoyl)acetate;EC-000.1531;Ethyl 2-(fur-2-oyl)acetate;SCHEMBL1126497;DTXSID30374701;PKHYBBXBBXOGMZ-UHFFFAOYSA-N;ethyl 3-fur-2-yl-3-oxopropanoate;ethyl 3-oxo-3-(2-furyl)propanoate;STK312749;AKOS000310049;Ethyl 3-(fur-2-yl)-3-oxopropanoate;AB03499;AC-17260;SY005598;CS-0067857;FT-0625983;2-Furanpropanoic acid, |A-oxo-, ethyl ester;3-(2-Furyl)-3-oxopropionic acid ethyl ester;ethyl 3-(2-furyl)-3-oxopropanoate, AldrichCPR;A833273;11X-0925;J-520814;2-(furan-2-carbonyl)butanoate;Ethyl 3-(2-Furyl)-3-oxopropanoate;2-(3-Ethoxy-3-oxopropanoyl)furan, 1-Ethoxy-3-(fur-2-yl)propane-1,3-dione;910112-31-1

Chemical Property of Ethyl 3-(2-furyl)-3-oxopropanoate

Chemical Property:

• Vapor Pressure: 0.0174mmHg at 25°C
• Refractive Index: 1.476
• Boiling Point: 254.2 °C at 760 mmHg
• PKA: 9.73±0.46(Predicted)
• Flash Point: 107.6 °C
• PSA: 56.51000
• Density: 1.162 g/cm³
• LogP: 1.41550
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 182.05790880
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl3-(2-furyl)-3-oxopropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(=O)C1=CC=CO1
• Use Description: Ethyl 3-(2-furyl)-3-oxopropanoate is a chemical compound with applications in different fields. In the realm of flavor and fragrance industry, it serves as a valuable ingredient, contributing to the creation of unique and pleasant fruity, sweet, and caramel-like aroma profiles. Its role is pivotal in enhancing the taste and scent of various food products, beverages, and perfumes. Additionally, in the field of organic synthesis and medicinal chemistry, it can be used as a building block for the synthesis of complex organic molecules and pharmaceutical compounds. Its versatile structure makes it a valuable precursor for the creation of drug candidates and specialty chemicals. Furthermore, in the field of chemical research and analysis, it may find applications as a reference compound or standard in the study of furan derivatives and their properties. Its multifaceted utility underscores its significance in the flavor and fragrance industry, pharmaceutical research, and chemical analysis, where it plays essential roles in enhancing sensory experiences, advancing drug discovery, and supporting scientific investigations.

Technology Process of Ethyl 3-(2-furyl)-3-oxopropanoate

There total 27 articles about Ethyl 3-(2-furyl)-3-oxopropanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

2-Benzenesulfinyl-3-furan-2-yl-3-hydroxy-propionic acid ethyl ester → ethyl 3-(2-furyl)-3-oxopropanoate (615-09-8)

Guidance literature:

In various solvent(s); for 0.0166667h; Irradiation;

DOI:10.1016/0040-4039(96)00135-9

Reference yield: 87.0%

furfural (98-01-1) + diazoacetic acid ethyl ester (623-73-4) → ethyl 3-(2-furyl)-3-oxopropanoate (615-09-8)

Guidance literature:

With molybdenium(VI) dioxodichloride; In dichloromethane; at 20 ℃; for 5h;

DOI:10.1055/s-2008-1067029

Reference yield: 85.0%

1-(2-furyl)-1-ethanone (1192-62-7,80145-44-4) + Diethyl carbonate (105-58-8,76619-83-5) → ethyl 3-(2-furyl)-3-oxopropanoate (615-09-8)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 20 ℃; Inert atmosphere; Reflux;

DOI:10.1039/c6cc01742h

upstream raw materials:

2-furancarbonyl chloride

ethyl acetoacetate

2-furoic acid methyl ester

ethyl acetate

Downstream raw materials:

3-[2]furyl-3-oxo-propionic acid benzothiazol-2-ylamide

3-[2]furyl-3-oxo-propionic acid-(5,5-dioxo-5λ⁶-dibenzothiophen-3-ylamide)

3-[2]furyl-3-oxo-propionic acid-(2,5-dichloro-anilide)

[2,2']bifuranyl-3-carboxylic acid

Refernces

• 1、 He, Jiayin,Huang, An,Ling, Fei,Wang, Shiliang,Wang, Yifan,Wang, Ze,Zhao, Xianghua,Zhong, Weihui. "Iridium-Catalyzed Enantioselective and Diastereoselective Hydrogenation of Racemic β’-Keto-β-Amino Esters via Dynamic Kinetic Resolution". supporting information. p. 4714 - 4719. Retrieved 2021/09/02.
• 2、 Blackwell, Helen E.,Manson, Daniel E.,Nyffeler, Kayleigh E.,O'Reilly, Matthew C.. "Design, Synthesis, and Biochemical Characterization of Non-Native Antagonists of the Pseudomonas aeruginosa Quorum Sensing Receptor LasR with Nanomolar IC50 Values". . . Retrieved 2020/03/04.