Acetic acid 2-propionylphenyl ester

Base Information

• Chemical Name: Acetic acid 2-propionylphenyl ester
• CAS No.: 97139-82-7
• Molecular Formula: C11H12 O3
• Molecular Weight: 192.214
• Hs Code.: 2915390090
• DSSTox Substance ID: DTXSID80472140
• Nikkaji Number: J2.258.227E
• Wikidata: Q82300928
• Mol file: 97139-82-7.mol

Synonyms:Acetic acid 2-propionylphenyl ester;97139-82-7;(2-propanoylphenyl) Acetate;2-Propanoylphenyl acetate;2-Propionylphenyl acetate;SCHEMBL12572402;DTXSID80472140;MFCD08437107;AKOS006243229

Chemical Property of Acetic acid 2-propionylphenyl ester

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Melting Point: 26°C
• Refractive Index: 1.509
• Boiling Point: 295.026°C at 760 mmHg
• Flash Point: 127.728°C
• PSA: 43.37000
• Density: 1.098g/cm³
• LogP: 2.20460
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 223

Purity/Quality:

98% ^*data from raw suppliers

2'-ACETOXYPROPIOPHENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Acetic acid 2-propionylphenyl ester

There total 7 articles about Acetic acid 2-propionylphenyl ester 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: 84.0%

ethylmagnesium bromide (925-90-6) + O-acetylsalicyloyl chloride (5538-51-2) → o-acetoxypropiophenone (97139-82-7)

Guidance literature:

With Bis<2-(N,N-dimethylamino)aethyl>aether; In tetrahydrofuran; cooling;

DOI:10.1021/ol052150q

Reference yield: 55.0%

2-[(cyclohexylamino)carbonyl]phenyl acetate (41390-40-3) + ethylmagnesium bromide (925-90-6) → o-acetoxypropiophenone (97139-82-7)

Guidance literature:

2-[(cyclohexylamino)carbonyl]phenyl acetate; With 2-fluoropyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at -78 - 0 ℃; Inert atmosphere;

ethylmagnesium bromide; In dichloromethane; at -78 ℃; for 0.416667h; Inert atmosphere;

With hydrogenchloride; water; In tetrahydrofuran; dichloromethane; at 65 ℃; for 2h; chemoselective reaction; Inert atmosphere;

DOI:10.1038/nchem.1268

Reference yield: 55.0%

2-[(cyclohexylamino)carbonyl]phenyl acetate (41390-40-3) + diethylzinc (557-20-0) → o-acetoxypropiophenone (97139-82-7)

Guidance literature:

2-[(cyclohexylamino)carbonyl]phenyl acetate; With 2-fluoropyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at -78 - 0 ℃; Inert atmosphere;

diethylzinc; In dichloromethane; at 0 - 20 ℃; for 0.416667h; Inert atmosphere;

With hydrogenchloride; water; In tetrahydrofuran; dichloromethane; at 65 ℃; for 2h; chemoselective reaction; Inert atmosphere;

DOI:10.1038/nchem.1268

upstream raw materials:

1-(2-Hydroxy-phenyl)-propan-1-on

acetic anhydride

ethylmagnesium bromide

O-acetylsalicyloyl chloride

Downstream raw materials:

7-hydroxy-3-(phenylcarbonyl)-2H-chromen-2-one

7-(methyloxy)-3-(phenylcarbonyl)-2H-chromen-2-one

C₃₀H₃₆O₆

C₂₀H₁₆O₆

Refernces

• 1、 Wang, Xiao-Jun,Zhang, Li,Sun, Xiufeng,Xu, Yibo,Krishnamurthy, Dhileepkumar,Senanayake, Chris H.. "Addition of Grignard reagents to aryl acid chlorides: An efficient synthesis of aryl ketones". . p. 5593 - 5595. Retrieved 2007/10/03.