2-Acetyl-7-methoxybenzofuran

Base Information

• Chemical Name: 2-Acetyl-7-methoxybenzofuran
• CAS No.: 43071-52-9
• Molecular Formula: C11H10O3
• Molecular Weight: 190.199
• Hs Code.: 29329900
• European Community (EC) Number: 670-499-3
• DSSTox Substance ID: DTXSID70195674
• Nikkaji Number: J37.040A
• Wikidata: Q77512614
• Metabolomics Workbench ID: 106254
• ChEMBL ID: CHEMBL1570795
• Mol file: 43071-52-9.mol

Synonyms:2-Acetyl-7-methoxybenzofuran;43071-52-9;1-(7-methoxybenzofuran-2-yl)ethanone;1-(7-Methoxy-1-benzofuran-2-yl)ethanone;Ethanone, 1-(7-methoxy-2-benzofuranyl)-;2-acetyl-7-methoxybenzo[b]furan;7-Methoxy-2-benzofuranyl methyl ketone;BRN 0156263;1-(7-Methoxybenzofuran-2-yl)ethan-1-one;1-(7-Methoxy-1-benzofuran-2-yl)-1-ethanone;KETONE, 7-METHOXY-2-BENZOFURANYL METHYL;1-(7-Methoxy-2-benzofuranyl)ethanone;1-(7-methoxy-1-benzofuran-2-yl)ethan-1-one;Ethanone, 1-(7-methoxy-2-benzofuranyl)- (9CI);4-18-00-00361 (Beilstein Handbook Reference);2-Acetyl-7-methoxycoumarone;MLS000689257;SCHEMBL219813;CHEMBL1570795;MUUMFANQVPWPFY-UHFFFAOYSA-;DTXSID70195674;CHEBI:194599;2-acetyl-7-methoxybenzo [b]furan;HMS2723C22;2-Acetyl-7-methoxybenzofuran, 98%;MFCD00016911;STK503763;AKOS000265164;s10955;NCGC00245925-01;1-(7-methoxy-1-benzouran-2-yl)ethanone;1-(7-Methoxy-benzofuran-2-yl)-ethanone;AC-27842;Ethanone,1-(7-methoxy-2-benzofuranyl)-;LS-87267;SMR000311055;CS-0062566;EU-0062740;FT-0610966;1-(7-Methoxy-1-benzofuran-2-yl)ethanone #;EN300-09786;8P-918;A18775;J-200042;J-640043;J-800045;Z56347063

Chemical Property of 2-Acetyl-7-methoxybenzofuran

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.00113mmHg at 25°C
• Melting Point: 94-96 °C(lit.)
• Refractive Index: 1.569
• Boiling Point: 300.279 °C at 760 mmHg
• Flash Point: 135.404 °C
• PSA: 39.44000
• Density: 1.175 g/cm³
• LogP: 2.64400
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 190.062994177
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

99.9% ^*data from raw suppliers

2-Acetyl-7-methoxybenzofuran ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=CC2=C(O1)C(=CC=C2)OC
• Uses: 2-Acetyl-7-methoxybenzofuran is a building block that has been used as a reagent for the preparation of 2-ethylbenzofuran derivatives to be used as potent human uric acid transporter 1 (hURAT1) inhibitors.

Technology Process of 2-Acetyl-7-methoxybenzofuran

There total 2 articles about 2-Acetyl-7-methoxybenzofuran 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: 53.0%

ethyl (2-chloroaceto)acetate (638-07-3) + 3-methoxy-2-hydroxybenzaldehyde (148-53-8) → diethyl 1,4-cyclohexanedione-2,5-dicarboxylate (787-07-5) + 2-Acetyl-7-methoxybenzofuran (43071-52-9) + 3-(7-Methoxy-benzofuran-2-yl)-3-oxo-propionic acid ethyl ester (96829-80-0)

Guidance literature:

With potassium fluoride; In methanol; for 22h; Heating;

DOI:10.1055/s-1984-31084

Reference yield:

2-[1-Hydroxy-1-(7-methoxy-benzofuran-2-yl)-ethyl]-1,3-dimethyl-3H-imidazol-1-ium; iodide → 2-Acetyl-7-methoxybenzofuran (43071-52-9) + 1,3-dimethylimidazolim iodide (4333-62-4)

Guidance literature:

With potassium carbonate; In benzene; Yield given;

Reference yield: 83.0%

2-Acetyl-7-methoxybenzofuran (43071-52-9) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → (E)-3-(4-hydroxyphenyl)-1-(7-methoxybenzofuran-2-yl)prop-2-en-1-one

Guidance literature:

With piperidine; In butan-1-ol; for 0.416667h; Microwave irradiation;

DOI:10.1016/j.bmc.2018.02.049

upstream raw materials:

ethyl (2-chloroaceto)acetate

3-methoxy-2-hydroxybenzaldehyde

Downstream raw materials:

2-acetyl-7-hydroxybenzofuran

2-ethyl-7-methoxybenzo[b]furan

1-(7-methoxybenzofuran-2-yl)ethanol

1-(7-methoxy-benzofuran-2-yl)-ethanone oxime

Refernces

• 1、 Lamotte, Genevieve,Demerseman, Pierre,Royer, Rene. "A One-Step Synthesis of Ethyl (2-Benzofuroyl)-acetates". . p. 1068 - 1070. Retrieved 2007/10/02.