3-Acetylphenyl acetate

Base Information

• Chemical Name: 3-Acetylphenyl acetate
• CAS No.: 2454-35-5
• Molecular Formula: C10H10O3
• Molecular Weight: 178.188
• Hs Code.: 2915390090
• European Community (EC) Number: 219-524-8
• NSC Number: 174054
• UNII: 1WC3FS93QL
• DSSTox Substance ID: DTXSID20179287
• Nikkaji Number: J33.498G
• Wikidata: Q72434272
• Mol file: 2454-35-5.mol

Synonyms:3'-Acetoxyacetophenone;2454-35-5;3-acetylphenyl acetate;3-Acetoxyacetophenone;m-Acetylphenyl acetate;(3-acetylphenyl) acetate;Ethanone, 1-[3-(acetyloxy)phenyl]-;1WC3FS93QL;EINECS 219-524-8;MFCD00017227;Ethanone, 1-(3-(acetyloxy)phenyl)-;NSC 174054;NSC-174054;3-acetylphenylacetate;HYOSCYAMINESULFATE;3'-acetoxy acetophenone;Acetic acid 3-acetylphenyl;UNII-1WC3FS93QL;SCHEMBL3141164;DTXSID20179287;Acetic acid 3-acetyl-phenyl ester;3-Acetylphenyl acetate, AldrichCPR;AMY21812;NSC174054;AKOS006228157;SB36151;1-(3-(ACETYLOXY)PHENYL)ETHANONE;AS-61795;SY051095;ACETOPHENONE, 3'-HYDROXY-, ACETATE;FT-0634294;D78331;3 inverted exclamation mark -Acetoxyacetophenone;A817355;W-107308

Chemical Property of 3-Acetylphenyl acetate

Chemical Property:

• Appearance/Colour: COA
• Vapor Pressure: 0.00208mmHg at 25°C
• Melting Point: 46 °C
• Refractive Index: 1.512
• Boiling Point: 290.3 °C at 760 mmHg
• Flash Point: 126.5 °C
• PSA: 43.37000
• Density: 1.123 g/cm³
• LogP: 1.81450
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

3''-Acetoxyacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Acetylphenyl acetate

There total 12 articles about 3-Acetylphenyl 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: 99.0%

3-Hydroxyacetophenone (121-71-1) + acetic anhydride (108-24-7) → 3-acetylphenyl acetate (2454-35-5)

Guidance literature:

With magnesium(II) perchlorate; at 20 ℃; for 1h;

Reference yield: 97.0%

acetic anhydride (108-24-7) + recorcinol (108-46-3) → 3-acetylphenyl acetate (2454-35-5)

Guidance literature:

With N-methylmorpholinium propanesulfonic acid ammonium hydrogensulfate; at 25 ℃; for 0.0833333h; chemoselective reaction; Inert atmosphere; neat (no solvent);

DOI:10.1007/s00706-010-0353-x

Reference yield: 97.0%

acetic anhydride (108-24-7) + o-hydroxyacetophenone (118-93-4,104809-67-8) → 3-acetylphenyl acetate (2454-35-5)

Guidance literature:

In neat (no solvent); at 20 ℃; for 0.5h;

DOI:10.1002/aoc.6413

upstream raw materials:

3-Hydroxyacetophenone

acetic anhydride

dimethylcadmium

3-(chlorocarbonyl)phenyl acetate

Downstream raw materials:

3-Hydroxyacetophenone

2-bromo-3-acetyloxylacetophenone

N-(1-(3-chlorophenyl)-3-(3-acetoxyphenyl)-3-oxopropyl)-2-(4-nitrophenyl)acetamide

3-(6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl)phenyl acetate

Refernces

• 1、 -. "Method for promoting acylation of amine or alcohol by carbon dioxide". Paragraph 0034-0035. . Retrieved 2021/05/29.
• 2、 -. "PYRROLE DERIVATIVES AS PLK1 INHIBITORS". Page/Page column 111; 112. . Retrieved 2018/11/22.