2-Ethylbenzofuran-3-yl p-methoxyphenyl ketone

Base Information

• Chemical Name: 2-Ethylbenzofuran-3-yl p-methoxyphenyl ketone
• CAS No.: 3343-80-4
• Molecular Formula: C18H16 O3
• Molecular Weight: 280.323
• Hs Code.: 2932999099
• European Community (EC) Number: 222-090-2
• UNII: U7RQD5YK5N
• DSSTox Substance ID: DTXSID9062984
• Nikkaji Number: J205.428K
• Wikidata: Q81990403
• ChEMBL ID: CHEMBL1767080
• Mol file: 3343-80-4.mol

Synonyms:2-Ethylbenzofuran-3-yl p-methoxyphenyl ketone;3343-80-4;2-Ethyl-3-p-anisoylbenzofuran;(2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone;Methanone, (2-ethyl-3-benzofuranyl)(4-methoxyphenyl)-;U7RQD5YK5N;EINECS 222-090-2;Ketone, 2-ethyl-3-benzofuranyl p-methoxyphenyl;(2-Ethyl-3-benzofuranyl)(4-methoxyphenyl)methanone;UNII-U7RQD5YK5N;SCHEMBL1287462;CHEMBL1767080;DTXSID9062984;AKOS012255359;2-Ethyl-3-(4-methoxybenzoyl)benzofuran;2-ethyl-3-(4-methoxybenzoyl) benzofuran;3-(4-methoxybenzoyl)-2-ethylbenzo[b]furan;(2-Ethylbenzofuran-3-yl)(4-methoxyphenyl)methanone;W-109887

Chemical Property of 2-Ethylbenzofuran-3-yl p-methoxyphenyl ketone

Chemical Property:

• Vapor Pressure: 2.55E-08mmHg at 25°C
• Melting Point: 81 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 450.9°Cat760mmHg
• Flash Point: 226.5°C
• PSA: 39.44000
• Density: 1.161g/cm³
• LogP: 4.23480
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 280.109944368
• Heavy Atom Count: 21
• Complexity: 360

Purity/Quality:

99.0% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)OC
• Uses: 2-Ethylbenzofuran-?3-?yl p-?Methoxyphenyl Ketone is used in the preparation of 2-ethylbenzofuran derivatives which are potential human uric acid transporter 1 (hURAT1) inhibitors.

Technology Process of 2-Ethylbenzofuran-3-yl p-methoxyphenyl ketone

There total 9 articles about 2-Ethylbenzofuran-3-yl p-methoxyphenyl ketone 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: 98.0%

2-ethylbenzofuran (3131-63-3) + 4-methoxy-benzoyl chloride (100-07-2) → (2-ethylbenzofuran-3-yl)(4-methoxyphenyl)methanone (3343-80-4)

Guidance literature:

With polystyrene-supported aluminum trichloride; In dichloromethane; at 5 - 20 ℃; for 1h; Large scale;

Reference yield: 87.0%

acrolein dimer (100-73-2) + 1-(4-methoxyphenyl)-1,3-pentanedione (54103-36-5) → (2-ethylbenzofuran-3-yl)(4-methoxyphenyl)methanone (3343-80-4)

Guidance literature:

With aluminum (III) chloride; N-Bromosuccinimide; In nitromethane; at 80 ℃; for 6h;

DOI:10.1021/acs.joc.9b00270

Reference yield:

2-ethylbenzofuran (3131-63-3) + 36%-hydrochloric acid + 4-methoxy-benzoyl chloride (100-07-2) → (2-ethylbenzofuran-3-yl)(4-methoxyphenyl)methanone (3343-80-4)

Guidance literature:

With iron(III) chloride; In water; toluene;

upstream raw materials:

2-ethylbenzofuran

4-methoxy-benzoyl chloride

1-(benzo[b]furan-2-yl)ethanone

salicylaldehyde

Downstream raw materials:

benzarone

2-(2-methoxyphenyl)-1-(4-methoxyphenyl)ethan-1-one

1-(2-methoxyphenyl)butan-2-one

benziodarone

Refernces

• 1、 -. "Synthesis method of benzbromarone key intermediate". Paragraph 0010; 0027-0029; 0032-0034. . Retrieved 2021/07/28.
• 2、 -. "Preparation method of 2-ethyl-3-(4-hydroxylbenzoyl) benzofuran". Paragraph 0028; 0034; 0039-0041; 0044; 0046. . Retrieved 2018/11/04.