1-(4-Methoxyphenyl)propyl acetate

Base Information

• Chemical Name: 1-(4-Methoxyphenyl)propyl acetate
• CAS No.: 16031-55-3
• Molecular Formula: C12H16O3
• Molecular Weight: 208.257
• DSSTox Substance ID: DTXSID801245558
• Nikkaji Number: J2.500.697F
• Mol file: 16031-55-3.mol

Synonyms:16031-55-3;DTXSID801245558;Benzenemethanol, alpha-ethyl-4-methoxy-, 1-acetate

Chemical Property of 1-(4-Methoxyphenyl)propyl acetate

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 195

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(4-Methoxyphenyl)propyl acetate

There total 13 articles about 1-(4-Methoxyphenyl)propyl 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: 92.0%

1-(4-methoxyphenyl)-1-propanol (5349-60-0) + acetic anhydride (108-24-7) → 1-(4-methoxyphenyl)prop-1-yl acetate (16031-55-3)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1016/j.tetlet.2008.02.135

Reference yield: 78.2%

1-(4-methoxyphenyl)-1-propanol (5349-60-0) + acetyl chloride (75-36-5) → 1-(4-methoxyphenyl)prop-1-yl acetate (16031-55-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 2h; Inert atmosphere; Cooling with ice;

DOI:10.1002/jlcr.3329

Reference yield: 75.0%

acetic acid (64-19-7,77671-22-8) + E-1-(4'-methoxyphenyl)prop-1-ene (4180-23-8,25086-72-0,63589-56-0) → 1-(4-methoxyphenyl)prop-1-yl acetate (16031-55-3)

Guidance literature:

With 1,1,2,2-tetramethyl-1,2-ethanediamino-N,N'-bis(3,5-di-tert-butylsalicylidene)-cobalt(II); 1,1,3,3-Tetramethyldisiloxane; iodosylbenzene; In ethyl acetate; at 20 ℃; for 18h; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.9b01857

upstream raw materials:

acetic anhydride

ethyl bromide

4-methoxybenzaldehyde-1,1-diacetate

4-n-propylanisole

Downstream raw materials:

anethole

N-[1-(4-methoxyphenyl)propyl]-N-methylbenzenesulfonamide

E-1-(4'-methoxyphenyl)prop-1-ene

4-Methoxypropiophenone