1-[4-(Allyloxy)phenyl]ethanone

Base Information

• Chemical Name: 1-[4-(Allyloxy)phenyl]ethanone
• CAS No.: 2079-53-0
• Molecular Formula: C11H12 O2
• Molecular Weight: 176.215
• Hs Code.: 2914509090
• NSC Number: 45268
• DSSTox Substance ID: DTXSID50174881
• Nikkaji Number: J1.034.385B
• Wikidata: Q83045037
• Mol file: 2079-53-0.mol

Synonyms:1-[4-(allyloxy)phenyl]ethanone;2079-53-0;4-Allyloxyacetophenone;1-(4-prop-2-enoxyphenyl)ethanone;Acetophenone, 4'-(allyloxy)-;1-(4-(2-Propenyloxy)phenyl)ethanone;BRN 1448925;Ethanone, 1-(4-(2-propenyloxy)phenyl)-;1-(4-(Allyloxy)phenyl)ethanone;1-[4-(prop-2-en-1-yloxy)phenyl]ethanone;4-08-00-00343 (Beilstein Handbook Reference);NSC45268;4'-allyloxyacetophenone;4'-(Allyloxy)acetophenone;SCHEMBL1092083;DTXSID50174881;BBL017132;MFCD01673002;NSC 45268;NSC-45268;STK441323;1-(4-(Allyloxy)phenyl)ethan-1-one;AKOS000182121;VS-05880;CS-0315057;1-[4-(ALLYLOXY)PHENYL]ETHANONE 95%;1-[4-(prop-2-en-1-yloxy)phenyl]ethan-1-one

Chemical Property of 1-[4-(Allyloxy)phenyl]ethanone

Chemical Property:

• Vapor Pressure: 0.00246mmHg at 25°C
• Boiling Point: 287.6°Cat760mmHg
• Flash Point: 125.6°C
• PSA: 26.30000
• Density: 1.018g/cm³
• LogP: 2.45400
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

98%min ^*data from raw suppliers

1-[4-(allyloxy)phenyl]ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-[4-(Allyloxy)phenyl]ethanone

There total 14 articles about 1-[4-(Allyloxy)phenyl]ethanone 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: 100.0%

allyl bromide (106-95-6) + 4-Hydroxyacetophenone (99-93-4) → 1-(4-(allyloxy)phenyl)ethanone (2079-53-0)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; Reflux;

Reference yield: 98.0%

(RS)-1-(4-allyloxyphenyl)ethan-1-ol (222713-67-9) → 1-(4-(allyloxy)phenyl)ethanone (2079-53-0)

Guidance literature:

With C₆H₄MoNO₇^(1-)*C₁₉H₄₂N⁽¹⁺⁾; oxygen; In water; at 100 ℃; for 20h; chemoselective reaction; Green chemistry;

DOI:10.1016/j.jcat.2019.06.013

Reference yield: 90.0%

4-(2-propynyloxy)acetophenone (34264-14-7) → 1-(4-(allyloxy)phenyl)ethanone (2079-53-0)

Guidance literature:

With indium; In ethanol; for 45h; Heating;

DOI:10.1021/jo010262z

upstream raw materials:

allyl phenyl ether

acetic anhydride

allyl bromide

4-Hydroxyacetophenone

Downstream raw materials:

allylbenzene

1-(4-hydroxyphenyl)-1-phenylethylene

1-[4-(2,3-dihydroxypropoxy)phenyl]-1-ethanone

4-Hydroxyacetophenone