2-Methoxyphenylacetone

Base Information

• Chemical Name: 2-Methoxyphenylacetone
• CAS No.: 5211-62-1
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 29145000
• European Community (EC) Number: 226-008-6
• UNII: C38517JK47
• DSSTox Substance ID: DTXSID20200121
• Nikkaji Number: J208.720K
• Wikidata: Q27275136
• Mol file: 5211-62-1.mol

Synonyms:2-Methoxyphenylacetone;5211-62-1;1-(2-methoxyphenyl)propan-2-one;o-Anisylacetone;(2-methoxyphenyl)acetone;o-Methoxy phenyl acetone;2-Propanone, 1-(2-methoxyphenyl)-;UNII-C38517JK47;EINECS 226-008-6;C38517JK47;2-Acetonylanisole;o-Methoxyphenylaceton;2-methoxyphenyl acetone;(2-Methoxyphenyl) acetone;SCHEMBL266821;1-(2-Methoxyphenyl)acetone #;(O-METHOXYPHENYL)ACETONE;DTXSID20200121;1-(2-Methoxyphenyl)-2-propanone;1-(2-methoxyphenyl)-propan-2-one;1-(2'-Methoxyphenyl)-2-propanone;BBL027726;MFCD00008770;STL372960;AKOS000120868;AC-5624;CS-W017906;VS-08584;A7659;FT-0612862;M0794;EN300-20819;N11926;W-105850;Q27275136

Chemical Property of 2-Methoxyphenylacetone

Chemical Property:

• Appearance/Colour: clear colourless to yellow liquid
• Vapor Pressure: 0.0114mmHg at 25°C
• Melting Point: 127-130 °C (10 mmHg)
• Refractive Index: n20/D 1.525(lit.)
• Boiling Point: 261.7 °C at 760 mmHg
• Flash Point: 94 °C
• PSA: 26.30000
• Density: 1.027 g/cm³
• LogP: 1.82670
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

2-Methoxyphenylacetone 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC1=CC=CC=C1OC

Technology Process of 2-Methoxyphenylacetone

There total 41 articles about 2-Methoxyphenylacetone 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: 94.0%

2-allylanisole (3698-28-0) → 1-(2-methoxyphenyl)propan-2-one (5211-62-1)

Guidance literature:

With iron(III) chloride; palladium(II) trifluoroacetate; sodium 2,2,2-trifluoroacetate; In water; acetonitrile; at 60 ℃; Inert atmosphere; Darkness;

DOI:10.1002/adsc.201900179

Reference yield: 90.0%

Isopropenyl acetate (108-22-5) + 2-bromoanisole (578-57-4) → 1-(2-methoxyphenyl)propan-2-one (5211-62-1)

Guidance literature:

With tributyltin methoxide; dichlorobis(tri-O-tolylphosphine)palladium; In toluene; at 100 ℃; for 5h;

Reference yield: 89.0%

2-Chloroanisole (766-51-8) + acetone (67-64-1) → 1-(2-methoxyphenyl)propan-2-one (5211-62-1)

Guidance literature:

With bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; 2-methoxy-6-(N-methyl-N-phenyl-amino)phenyl(dicyclohexyl)phosphine; caesium carbonate; at 90 ℃; for 40h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1002/adsc.201300207

upstream raw materials:

2-(1-propenyl)anisole

2-methoxy-β-methyl-β-nitrostyrene

2,3-epoxy-3-(2-methoxy-phenyl)-2-methyl-propionic acid methyl ester

2-(2-methoxyphenyl)-3-oxobutanenitrile

Downstream raw materials:

[2-(2-methoxy-phenyl)-1-methyl-ethyl]-[2]thienylmethyl-amine

furfuryl-[2-(2-methoxy-phenyl)-1-methyl-ethyl]-amine

methoxyphenamine

bis-[2-(2-methoxy-phenyl)-1-methyl-ethyl]-amine