p-Methoxyphenethyl acetate

Base Information

• Chemical Name: p-Methoxyphenethyl acetate
• CAS No.: 22532-51-0
• Molecular Formula: C11H14 O3
• Molecular Weight: 194.23
• Hs Code.: 2915390090
• European Community (EC) Number: 245-057-4
• NSC Number: 190962
• DSSTox Substance ID: DTXSID80177047
• Nikkaji Number: J45.949F
• Wikidata: Q63398237
• Metabolomics Workbench ID: 101568
• Mol file: 22532-51-0.mol

Synonyms:2-(4-methoxyphenyl)ethyl acetate;22532-51-0;p-Methoxyphenethyl acetate;4-Methoxyphenethyl acetate;Benzeneethanol, 4-methoxy-, acetate;EINECS 245-057-4;AI3-05676;O-Methyltyrosol acetate;4-Methoxyphenethylacetate;4-methoxyphenylethyl acetate;SCHEMBL3815839;DTXSID80177047;Acetic acid 4-methoxyphenethyl ester;Phenethyl alcohol,p-methoxy-,acetate;NSC190962;NSC-190962;Q63398237

Chemical Property of p-Methoxyphenethyl acetate

Chemical Property:

• Vapor Pressure: 0.00384mmHg at 25°C
• Boiling Point: 280.2°Cat760mmHg
• Flash Point: 112.5°C
• PSA: 35.53000
• Density: 1.062g/cm³
• LogP: 1.80080
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 171

Purity/Quality:

99% ^*data from raw suppliers

2-(4-METHOXYPHENYL)ETHYLACETATE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCC1=CC=C(C=C1)OC

Technology Process of p-Methoxyphenethyl acetate

There total 20 articles about p-Methoxyphenethyl acetate 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-(4-Methoxyphenyl)ethanol (702-23-8) + acetyl chloride (75-36-5) → 4-methoxyphenethyl acetate (22532-51-0)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1002/chem.201901079

Reference yield: 93.2%

2-(4-Methoxyphenyl)ethanol (702-23-8) + acetic anhydride (108-24-7) → 4-methoxyphenethyl acetate (22532-51-0)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 10h; Inert atmosphere;

DOI:10.1080/00397911.2018.1548023

Reference yield: 92.0%

2-(4-Methoxyphenyl)ethanol (702-23-8) + benzylidene 1,1-diacetate (581-55-5) → 4-methoxyphenethyl acetate (22532-51-0)

Guidance literature:

With C_. antarctica B immobilized lipase; In toluene; at 60 ℃; for 5h; Enzymatic reaction;

DOI:10.1021/acs.joc.1c00154

upstream raw materials:

4-Methoxyphenylacetaldehyde

acetic acid

Bis-<3-(p-methoxy-phenyl)-propionyl>-peroxid

4-Methoxyphenylacetic acid

Downstream raw materials:

O-2-phenylethyl ethanethioate

3-acetyl-4-methoxyphenylethyl acetate

2-(4-Methoxyphenyl)ethanol

Refernces

• 1、 Koszelewski, Dominik,Brodzka, Anna,Madej, Arleta,Trzepizur, Damian,Ostaszewski, Ryszard. "Evaluation of gem-Diacetates as Alternative Reagents for Enzymatic Regio-and Stereoselective Acylation of Alcohols". . p. 6331 - 6342. Retrieved 2021/05/06.
• 2、 Karaki, Fumika,Kuwada, Miki,Tajiri, Saki,Kanda, Misaki,Yanai, Mari,Kamimura, Mitsuhiro,Itoh, Kennosuke,Fujii, Hideaki. "A deprotection procedure using SO3H silica gel to remove non-silyl protecting groups". supporting information. p. 212 - 220. Retrieved 2019/05/06.