Ethanone, 1-(4-methoxy-2-benzofuranyl)-

Base Information

• Chemical Name: Ethanone, 1-(4-methoxy-2-benzofuranyl)-
• CAS No.: 59445-59-9
• Molecular Formula: C11H10O3
• Molecular Weight: 190.1953
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID00208165
• Wikidata: Q83082271
• Mol file: 59445-59-9.mol

Synonyms:59445-59-9;Ethanone, 1-(4-methoxy-2-benzofuranyl)-;1-(4-Methoxybenzofuran-2-yl)ethanone;2-acetyl-4-methoxybenzofuran;BRN 1285008;1-(4-methoxy-1-benzofuran-2-yl)ethanone;1-(4-Methoxy-2-benzofuranyl)ethanone;1-(4-methoxy-1-benzofuran-2-yl)ethan-1-one;SCHEMBL5584903;2-Acetyl-4-methoxybenzo(b)furan;DTXSID00208165;UPWQUEPUCGYGBD-UHFFFAOYSA-N;LS-67494;CS-0062589;FT-0740589;D73258

Chemical Property of Ethanone, 1-(4-methoxy-2-benzofuranyl)-

Chemical Property:

• Vapor Pressure: 0.00113mmHg at 25°C
• Boiling Point: 300.3°C at 760 mmHg
• Flash Point: 135.4°C
• PSA: 39.44000
• Density: 1.174g/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:

NLT 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC2=C(O1)C=CC=C2OC

Technology Process of Ethanone, 1-(4-methoxy-2-benzofuranyl)-

There total 6 articles about Ethanone, 1-(4-methoxy-2-benzofuranyl)- 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: 82.0%

C15H19NO4 (1447798-32-4) → 2-acetyl-4-methoxybenzofuran (59445-59-9)

Guidance literature:

With diethylzinc; In tetrahydrofuran; at -60 - 20 ℃; for 3h;

DOI:10.1021/ol4017063

Reference yield: 15.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 3-chloropentane-2,4-dione (1694-29-7) + 3-methoxy-2-(trimethylsilyl)phenyl-trifluoromethanesulfonate (217813-03-1) → 2-acetyl-4-methoxybenzofuran (59445-59-9) + C15H19NO4 (1447798-32-4)

Guidance literature:

With tetrabutyl ammonium fluoride; diethylzinc; at -60 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/ol4017063

Reference yield:

6-methoxysalicylaldehyde (700-44-7) + chloroacetone (78-95-5) → 2-acetyl-4-methoxybenzofuran (59445-59-9)

Guidance literature:

6-methoxysalicylaldehyde; With potassium hydroxide; In methanol; for 0.5h; Reflux;

chloroacetone; In methanol; Reflux;

upstream raw materials:

N,N-dimethyl-formamide

3-chloropentane-2,4-dione

3-methoxy-2-(trimethylsilyl)phenyl-trifluoromethanesulfonate

C₁₅H₁₉NO₄

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