Ethyl 2-acetylbenzoate

Base Information

• Chemical Name: Ethyl 2-acetylbenzoate
• CAS No.: 103935-10-0
• Molecular Formula: C11H12 O3
• Molecular Weight: 192.214
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID00384094
• Wikidata: Q82176018
• Mol file: 103935-10-0.mol

Synonyms:ethyl 2-acetylbenzoate;103935-10-0;Ethyl 2-acetylbenzenecarboxylate;Benzoic acid, 2-acetyl-, ethyl ester;MFCD00173696;Benzoic acid,2-acetyl-,ethyl ester;ETHYL2-ACETYLBENZENECARBOXYLATE;Ethyl 2-Ethanoylbenzoate;SCHEMBL3945626;DTXSID00384094;2-acetyl-benzoic acid ethyl ester;AKOS005070770;CS-W022649;FT-0642548;6F-954;J-520683

Chemical Property of Ethyl 2-acetylbenzoate

Chemical Property:

• Vapor Pressure: 0.00108mmHg at 25°C
• Boiling Point: 301°Cat760mmHg
• Flash Point: 130.9°C
• PSA: 43.37000
• Density: 1.096g/cm³
• LogP: 2.06590
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.5
• 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:

99% ^*data from raw suppliers

Ethyl2-Acetylbenzoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CC=C1C(=O)C

Technology Process of Ethyl 2-acetylbenzoate

There total 17 articles about Ethyl 2-acetylbenzoate 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: 94.0%

2-acetyl-benzoic acid (577-56-0) + ethyl iodide (75-03-6) → ethyl 2-acetylbenzoate (103935-10-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h; Inert atmosphere; Schlenk technique;

DOI:10.1002/cctc.201700695

Reference yield: 87.0%

[1-(2-hydroxy-phenyl)-ethylidene]-carbazic acid ethyl ester (59834-04-7) → ethyl 2-acetylbenzoate (103935-10-0)

Guidance literature:

With lead(IV) acetate; In tetrahydrofuran; for 2h; Ambient temperature;

DOI:10.1016/S0040-4039(00)97170-3

Reference yield: 86.0%

dicobalt octacarbonyl (15226-74-1,61091-28-9,61117-58-6) + ethanol (64-17-5) + 2-acetylphenyl 2,3,4,5,6-pentafluorobenzenesulfonate → ethyl 2-acetylbenzoate (103935-10-0)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; at 20 ℃; for 16h; chemoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1002/adsc.201600736

upstream raw materials:

2-acetyl-benzoic acid

ethanol

phthalidyliden-acetic acid

ethyl iodide

Downstream raw materials:

4-[2-(2-morpholino-2-thioxo-ethyl)-benzoyl]-morpholine

o-Cinnamoylbenzoic acid

2,3-dihydro-3-methylene-2-benzyl-1H-isoindolone

5-oxo-6-phenyl-5,6-dihydro-dibenzo[b,h][1,5]naphthyridine-7-carboxylic acid

Refernces

• 1、 Jiang, Hongshuo,Mao, Guijie,Wu, Hongfeng,An, Qi,Zuo, Minghui,Guo, Weihao,Xu, Chunzhao,Sun, Zhizhong,Chu, Wenyi. "Synthesis of dibenzocycloketones by acyl radical cyclization from aromatic carboxylic acids using methylene blue as a photocatalyst". supporting information. p. 5368 - 5373. Retrieved 2019/10/11.
• 2、 Joseph, Jayan T.,Sajith, Ayyiliath M.,Ningegowda, Revanna C.,Shashikanth, Sheena. "Room Temperature Carbonylation of (Hetero) Aryl Pentafluorobenzenesulfonates and Triflates using Palladium-Cobalt Bimetallic Catalyst: Dual Role of Cobalt Carbonyl". supporting information. p. 419 - 425. Retrieved 2017/02/10.