2-Acetylphenyl acetate

Base Information

• Chemical Name: 2-Acetylphenyl acetate
• CAS No.: 7250-94-4
• Molecular Formula: C10H10O3
• Molecular Weight: 178.188
• Hs Code.: 29145090
• European Community (EC) Number: 633-332-5
• NSC Number: 30280
• UNII: 2T9WEX4AYN
• DSSTox Substance ID: DTXSID70274579
• Nikkaji Number: J502.008E
• Wikidata: Q72434269
• Mol file: 7250-94-4.mol

Synonyms:7250-94-4;2-Acetylphenyl acetate;2'-Acetoxyacetophenone;(2-acetylphenyl) acetate;Ethanone, 1-[2-(acetyloxy)phenyl]-;2 inverted exclamation marka-Acetoxyacetophenone;MFCD00017223;Ethanone,1-[2-(acetyloxy)phenyl]-;o-acetoxyacetophenone;Maybridge1_002653;2T9WEX4AYN;DivK1c_001405;SCHEMBL11050544;HMS549A13;DTXSID70274579;1-[2-(Acetyloxy)phenyl]ethanone;acetic acid 2-acetyl-phenyl ester;NSC30280;NSC-30280;AKOS005203313;CDS1_000365;AS-57719;SY057739;2invertedexclamationmarka-Acetoxyacetophenone;CS-0155083;FT-0610942;EN300-254350;L10014;2 inverted exclamation mark -Acetoxyacetophenone;Z28255481

Chemical Property of 2-Acetylphenyl acetate

Chemical Property:

• Appearance/Colour: white to light yellow-grey crystalline powder
• Melting Point: 89-90 °C
• Refractive Index: 1.5370 (estimate)
• Boiling Point: 279.4 °C at 760 mmHg
• Flash Point: 120.6 °C
• PSA: 43.37000
• Density: 1.123 g/cm³
• LogP: 1.81450
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• 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:

98% ^*data from raw suppliers

2-Acetoxyacetophenone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=CC=CC=C1OC(=O)C

Technology Process of 2-Acetylphenyl acetate

There total 34 articles about 2-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: 97.0%

acetic anhydride (108-24-7) + benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → o-acetoxyacetophenone (7250-94-4)

Guidance literature:

With N-methylmorpholinium propanesulfonic acid ammonium hydrogensulfate; at 25 ℃; for 0.05h; chemoselective reaction; Inert atmosphere; neat (no solvent);

DOI:10.1007/s00706-010-0353-x

Reference yield: 96.0%

o-hydroxyacetophenone (118-93-4,104809-67-8) + acetyl chloride (75-36-5) → o-acetoxyacetophenone (7250-94-4)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1016/j.tet.2015.05.025

Reference yield: 94.0%

acetic anhydride (108-24-7) + o-hydroxyacetophenone (118-93-4,104809-67-8) → o-acetoxyacetophenone (7250-94-4)

Guidance literature:

With pyridine; for 0.5h; Heating;

DOI:10.1039/c1ob05510k

upstream raw materials:

acetic anhydride

o-hydroxyacetophenone

tetramethylstannane

O-acetylsalicyloyl chloride

Downstream raw materials:

1-(2'-hydroxyphenyl)butane-1,3-dione

1-(2-acetoxyphenyl)vinyl acetate

2,3-bis(2-acetoxyphenyl)-butane

2-(2-acetoxyphenyl)-2-methyl-1,3-dioxolane

Refernces

• 1、 -. "A medicinal composition for combining thioxanthone paclitaxel and STAT3 inhibitor". Paragraph 0043; 0044; 0045; 0046. . Retrieved 2019/01/23.
• 2、 -. "A carbazole class STAT inhibitors maleic acid salt crystal form II combination pharmaceutical composition and its preparation method". Paragraph 0039-0042. . Retrieved 2019/02/13.