3-Methoxy-1-phenylbutan-1-one

Base Information

• Chemical Name: 3-Methoxy-1-phenylbutan-1-one
• CAS No.: 83832-76-2
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• DSSTox Substance ID: DTXSID50517052
• Nikkaji Number: J1.023.479D
• Mol file: 83832-76-2.mol

Synonyms:3-Methoxy-1-phenylbutan-1-one;83832-76-2;3-methoxybutyrophenone;SCHEMBL10884799;DTXSID50517052;RCUANRYODDFXQW-UHFFFAOYSA-N

Chemical Property of 3-Methoxy-1-phenylbutan-1-one

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Methoxy-1-phenylbutan-1-one

There total 9 articles about 3-Methoxy-1-phenylbutan-1-one 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: 89.0%

1,1-dimethoxyethane (534-15-6) + acetophenone (98-86-2) → 3-methoxy-1-phenylbutane-1-one (83832-76-2)

Guidance literature:

acetophenone; With trimethylsilyl trifluoromethanesulfonate; N-ethyl-N,N-diisopropylamine; In dichloromethane; for 0.25h; cooling;

1,1-dimethoxyethane; In dichloromethane; at 20 ℃; for 2h; Further stages.;

DOI:10.1021/jo8001084

Reference yield: 87.0%

methanol (67-56-1) + (E)-1-phenyl-2-buten-1-one (35660-91-4,35845-66-0,495-41-0) → 3-methoxy-1-phenylbutane-1-one (83832-76-2)

Guidance literature:

With sodium carbonate; In water; at 20 ℃; for 5h; Green chemistry;

DOI:10.1016/j.tetlet.2014.10.019

Reference yield: 78.0%

methanol (67-56-1) + 1-phenylbut-2-en-1-one (495-41-0) → 3-methoxy-1-phenylbutane-1-one (83832-76-2)

Guidance literature:

With 1-methyl-imidazolium p-toluenesulfonic acid; at 60 ℃; for 48h; neat (no solvent);

DOI:10.1039/c1ob06346d

upstream raw materials:

2-methoxy-2-phenylcyclopropanemethanol

methanol

1-phenylbut-3-en-1-one

1,1-dimethoxyethane

Downstream raw materials:

1-phenylbut-2-en-1-one