1-(4-Isobutoxyphenyl)propan-1-one

Base Information

• Chemical Name: 1-(4-Isobutoxyphenyl)propan-1-one
• CAS No.: 354539-62-1
• Molecular Formula: C13H18O2
• Molecular Weight: 206.28100
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID40356750
• Nikkaji Number: J1.910.356K
• Wikidata: Q82136301
• Mol file: 354539-62-1.mol

Synonyms:1-(4-isobutoxyphenyl)propan-1-one;354539-62-1;1-[4-(2-methylpropoxy)phenyl]propan-1-one;MFCD02176134;1-(4-isobutoxyphenyl)-1-propanone;DTXSID40356750;BBL016561;STK424537;AKOS000202211;VS-05367;CS-0314074;AK-968/15361341

Chemical Property of 1-(4-Isobutoxyphenyl)propan-1-one

Chemical Property:

• Vapor Pressure: 0.000485mmHg at 25°C
• Boiling Point: 313.8oC at 760 mmHg
• Flash Point: 130.2oC
• PSA: 26.30000
• Density: 0.975g/cm3
• LogP: 3.31410
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 191

Purity/Quality:

98%Min ^*data from raw suppliers

1-[4-(2-methylpropoxy)phenyl]propan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Isobutoxyphenyl)propan-1-one

There total 2 articles about 1-(4-Isobutoxyphenyl)propan-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: 82.0%

(isobutyloxy)benzene (1126-75-6) + propionic acid anhydride (123-62-6) → 1-(4-isobutoxy-phenyl)-propan-1-one (354539-62-1)

Guidance literature:

aluminum(III) hydrogen sulfate; at 65 - 70 ℃; for 4h;

DOI:10.1246/bcsj.76.1863

Reference yield:

(isobutyloxy)benzene (1126-75-6) + propionyl chloride (79-03-8) → 1-(4-isobutoxy-phenyl)-propan-1-one (354539-62-1)

Guidance literature:

With aluminium trichloride; Petroleum ether;

Reference yield:

1-(4-isobutoxy-phenyl)-propan-1-one (354539-62-1) → 2-amino-1-(4-isobutoxy-phenyl)-propan-1-one (441787-66-2)

Guidance literature:

Multi-step reaction with 3 steps

1: CuBr₂ / ethyl acetate; CHCl₃ / Heating

2: aq. NaN₃ / tetrahydrofuran / 20 °C

3: H₂; HCl / 10 percent Pd/C / ethanol / 1861.73 Torr

With hydrogenchloride; sodium azide; hydrogen; copper(ll) bromide; palladium on activated charcoal; In tetrahydrofuran; ethanol; chloroform; ethyl acetate;

DOI:10.1016/S0960-894X(01)00779-X

upstream raw materials:

(isobutyloxy)benzene

propionyl chloride

propionic acid anhydride

Downstream raw materials:

2-Bromo-1-(4-isobutoxy-phenyl)-propan-1-one

2-azido-1-(4-isobutoxy-phenyl)-propan-1-one

2-amino-1-(4-isobutoxy-phenyl)-propan-1-one

2-amino-4-(4-isobutoxy-phenyl)-5-methyl-1H-pyrrole-3-carbonitrile