3-Ethylacetophenone

Base Information

• Chemical Name: 3-Ethylacetophenone
• CAS No.: 22699-70-3
• Molecular Formula: C10H12O
• Molecular Weight: 148.205
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID20177223
• Nikkaji Number: J44.124D
• Wikidata: Q72472158
• Mol file: 22699-70-3.mol

Synonyms:3-ETHYLACETOPHENONE;22699-70-3;1-(3-Ethylphenyl)ethanone;1-(3-Ethylphenyl)ethan-1-one;m-Ethylacetophenone;3'-ETHYLACETOPHENONE;Ethanone, 1-(3-ethylphenyl)-;Acetophenone, 3-ethyl-;MFCD00009660;Ethanone,1-(3-ethylphenyl)-;methylacetophenon;m-Acetyl ethyl benzene;SCHEMBL334537;DTXSID20177223;CHEBI:194773;BBL102901;CL9636;STL556710;AKOS006228241;PS-5477;CS-0207257;FT-0605623;EN300-1827755;A816315

Chemical Property of 3-Ethylacetophenone

Chemical Property:

• Vapor Pressure: 0.0467mmHg at 25°C
• Melting Point: -20 °C
• Refractive Index: 1.507
• Boiling Point: 236.7 °C at 760 mmHg
• Flash Point: 92.4 °C
• PSA: 17.07000
• Density: 0.963 g/cm³
• LogP: 2.45160
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

98%min ^*data from raw suppliers

3''-Ethylacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/22-36/37/38
• Safety Statements: 23-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=CC=C1)C(=O)C

Technology Process of 3-Ethylacetophenone

There total 20 articles about 3-Ethylacetophenone 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: 86.0%

1-Ethyl-3-trimethylsilylbenzol (17988-51-1) + acetyl chloride (75-36-5) → 3-ethylacetophenone (22699-70-3)

Guidance literature:

With chlorure d'aluminium; In dichloromethane; at 0 ℃; for 5h;

DOI:10.1016/S0040-4020(01)81469-1

Reference yield: 81.0%

triethyl borane (97-94-9) + 3-acetylphenyl trifluoromethanesulfonate (138313-22-1) → 3-ethylacetophenone (22699-70-3)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; cesium acetate; In tetrahydrofuran; Reflux; Inert atmosphere;

DOI:10.1002/ejoc.200900538

Reference yield: 80.0%

m-diethylbenzene (141-93-5) → 3-ethylacetophenone (22699-70-3)

Guidance literature:

With tert.-butylnitrite; N-hydroxyphthalimide; In acetonitrile; at 80 ℃; for 24h; Schlenk technique;

upstream raw materials:

m-diethylbenzene

acetic acid

m-ethylbenzoic acid

ethyl bromide

Downstream raw materials:

1-(3-ethyl-phenyl)-ethanol

1,3-diacetylbenzene

1-(3-ethylphenyl)-3,3-dimercaptoprop-2-en-1-one

1-(3-ethyl-phenyl)-ethanone oxime

Refernces

• 1、 Li, Xue,Bai, Fang,Liu, Chaogan,Ma, Xiaowei,Gu, Chengzhi,Dai, Bin. "Selective Electrochemical Oxygenation of Alkylarenes to Carbonyls". supporting information. p. 7445 - 7449. Retrieved 2021/10/02.
• 2、 Wu, Qingsong,Han, Shuaijun,Ren, Xiaoxiao,Lu, Hongtao,Li, Jingya,Zou, Dapeng,Wu, Yangjie,Wu, Yusheng. "Pd-Catalyzed Alkylation of (Iso)quinolines and Arenes: 2-Acylpyridine Compounds as Alkylation Reagents". supporting information. p. 6345 - 6348. Retrieved 2018/10/20.