1-[3-(Allyloxy)phenyl]ethanone

Base Information

• Chemical Name: 1-[3-(Allyloxy)phenyl]ethanone
• CAS No.: 58621-54-8
• Molecular Formula: C11H12 O2
• Molecular Weight: 176.215
• Hs Code.: 2914509090
• NSC Number: 86587
• DSSTox Substance ID: DTXSID00292963
• Wikidata: Q82031489
• Mol file: 58621-54-8.mol

Synonyms:1-[3-(allyloxy)phenyl]ethanone;58621-54-8;1-(3-prop-2-enoxyphenyl)ethanone;1-(3-(Allyloxy)phenyl)ethanone;1-[3-(prop-2-en-1-yloxy)phenyl]ethanone;CHEMBRDG-BB 3018393;1-(3-Allyloxy-phenyl)-ethanone;NSC86587;NCIOpen2_001225;SCHEMBL1092605;DTXSID00292963;ZRQBATDEVGIBAS-UHFFFAOYSA-N;BBL017141;MFCD03900437;NSC-86587;STK441348;1-(3-(Allyloxy)phenyl)ethan-1-one;AKOS000172526;VS-05887;CS-0314678;1-[3-(prop-2-en-1-yloxy)phenyl]ethan-1-one

Chemical Property of 1-[3-(Allyloxy)phenyl]ethanone

Chemical Property:

• Vapor Pressure: 0.00696mmHg at 25°C
• Boiling Point: 270.1°Cat760mmHg
• Flash Point: 113°C
• PSA: 26.30000
• Density: 1.018g/cm³
• LogP: 2.45400
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

98%min ^*data from raw suppliers

1-[3-(allyloxy)phenyl]ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-[3-(Allyloxy)phenyl]ethanone

There total 2 articles about 1-[3-(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%

3-Hydroxyacetophenone (121-71-1) + allyl bromide (106-95-6) → 1-(3-(allyloxy)phenyl)ethan-1-one (58621-54-8)

Guidance literature:

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

Reference yield: 87.0%

1-(3-(allyloxy)phenyl)ethan-1-ol (79250-49-0) → 1-(3-(allyloxy)phenyl)ethan-1-one (58621-54-8)

Guidance literature:

With manganese(IV) oxide; In benzene; for 2h; Heating;

Reference yield: 100.0%

furfural (98-01-1) + 1-(3-(allyloxy)phenyl)ethan-1-one (58621-54-8) → (E)-1-(3-(allyloxy)phenyl)-3-(furan-2-yl)prop-2-en-1-one

Guidance literature:

1-(3-allyloxy-phenyl)-ethanone; With sodium hydroxide; In ethanol; for 0.333333h; Cooling with ice;

furfural; In ethanol; at 20 ℃;

DOI:10.1590/S0103-50532013000100018

upstream raw materials:

3-Hydroxyacetophenone

allyl bromide

1-(3-(allyloxy)phenyl)ethan-1-ol

Downstream raw materials:

4'-allyl-3'-hydroxyacetophenone

2'-allyl-3'-hydroxyacetophenone

3-Hydroxyacetophenone

4-acetylbenzofuran

Refernces

• 1、 Jyoti,Gaur, Rashmi,Kumar, Yogesh,Cheema, Harveer Singh,Kapkoti, Deepak Singh,Darokar, Mahendra P.,Khan, Feroz,Bhakuni, Rajendra Singh. "Synthesis, molecular modelling studies of indolyl chalcone derivatives and their antimalarial activity evaluation". . p. 3261 - 3268. Retrieved 2019/12/11.
• 2、 Zhu, Guo-Min,Huang, Guo-Dong. "Chemical synthesis, docking studies and biological effects of functionalized 1,3-diaryl-2-propen-1-ones on human colon cancer cells". . p. 230 - 240. Retrieved 2015/09/21.