1-(4-Methoxyphenoxy)acetone

Base Information

• Chemical Name: 1-(4-Methoxyphenoxy)acetone
• CAS No.: 6698-71-1
• Molecular Formula: C10H12 O3
• Molecular Weight: 180.203
• Hs Code.: 2914509090
• NSC Number: 211881
• DSSTox Substance ID: DTXSID60309389
• Nikkaji Number: J1.253.883I
• Wikidata: Q82057781
• Mol file: 6698-71-1.mol

Synonyms:6698-71-1;1-(4-methoxyphenoxy)acetone;1-(4-methoxyphenoxy)propan-2-one;1-(4-METHOXYPHENOXY)-2-PROPANONE;MFCD03855315;NSC211881;4-Methoxy-1-acetonyloxy-benzol;SCHEMBL10858118;DTXSID60309389;O-Methyl-O'-acetonyl-hydrochinon;STK663965;AKOS003345263;AB16833;NSC 211881;NSC-211881;LS-07747;SY286683;CS-0205120;FT-0694722

Chemical Property of 1-(4-Methoxyphenoxy)acetone

Chemical Property:

• Vapor Pressure: 0.0033mmHg at 25°C
• Boiling Point: 282.7°C at 760 mmHg
• Flash Point: 115.6°C
• PSA: 35.53000
• Density: 1.075g/cm³
• LogP: 1.66300
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

98%min ^*data from raw suppliers

1-(4-Methoxyphenoxy)propan-2-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)COC1=CC=C(C=C1)OC

Technology Process of 1-(4-Methoxyphenoxy)acetone

There total 3 articles about 1-(4-Methoxyphenoxy)acetone 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:

allyl (4-methoxyphenyl) ether (13391-35-0) → p-acetonyloxyanisole (6698-71-1)

Guidance literature:

With 5C₂₄H₅₂N⁽¹⁺⁾*PV₂Mo₁₀O₄₀^(5-); palladium dichloride; In [D₃]acetonitrile; water-d2; at 25 ℃;

DOI:10.1016/j.mcat.2020.111178

Reference yield:

allyl (4-methoxyphenyl) ether (13391-35-0) → p-acetonyloxyanisole (6698-71-1) + 3-(4-methoxyphenoxy)propionaldehyde (479192-15-9) + (+)-1-chloro-3-(4-methoxyphenoxy)propan-2-ol + (-)-1-chloro-3-(4-methoxyphenoxy)propan-2-ol

Guidance literature:

With oxygen; lithium chloride; copper dichloride; {Pd₂(MeCN)2(PHT)[(S)-Tol-BINAP]}(BF₄)2; In tetrahydrofuran; water; at 25 ℃; under 760 Torr; Title compound not separated from byproducts;

DOI:10.1016/S0022-328X(02)01580-2

Reference yield:

4-methoxy-phenol (150-76-5) → p-acetonyloxyanisole (6698-71-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / K₂CO₃ / acetone / 2 h / Heating

2: O₂; LiCl; CuCl₂ / {Pd₂(MeCN)2(PHT)[(S)-Tol-BINAP]}(BF₄)2 / tetrahydrofuran; H₂O / 25 °C / 760 Torr

With oxygen; potassium carbonate; lithium chloride; copper dichloride; {Pd₂(MeCN)2(PHT)[(S)-Tol-BINAP]}(BF₄)2; In tetrahydrofuran; water; acetone;

DOI:10.1016/S0022-328X(02)01580-2

upstream raw materials:

allyl (4-methoxyphenyl) ether

4-methoxy-phenol

Downstream raw materials:

3-(4-methoxy-phenoxy)-2-methyl-quinoline-4-carboxylic acid

(4-Methoxy-phenoxy)-aceton-dimethylketal

Methyl-<2-hydroxy-5-methoxy-benzyl>-keton

N-benzyl-N-[2-(4-methoxyphenoxy)-1-methylethyl]amine