4-Ethylphenylacetone

Base Information

• Chemical Name: 4-Ethylphenylacetone
• CAS No.: 75251-24-0
• Molecular Formula: C11H14O
• Molecular Weight: 162.232
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID80427094
• Nikkaji Number: J3.031.778E
• Wikidata: Q72476627
• Mol file: 75251-24-0.mol

Synonyms:4-ETHYLPHENYLACETONE;1-(4-ethylphenyl)propan-2-one;75251-24-0;1-(4-ethylphenyl)-2-propanone;4-ethylphenyl acetone;SCHEMBL564730;4-Ethylphenylacetone, AldrichCPR;DTXSID80427094;DNAGWILBAXAZOH-UHFFFAOYSA-N;1-(4-ethyl-phenyl)-propan-2-one;MFCD00210429;AKOS009158459;AS-59888;CS-0036325;FT-0641558;EN300-1851629;A838362

Chemical Property of 4-Ethylphenylacetone

Chemical Property:

• Appearance/Colour: Yellow powder
• Vapor Pressure: 0.0368mmHg at 25°C
• Refractive Index: 1.5120
• Boiling Point: 241 °C at 760 mmHg
• Flash Point: 101.3 °C
• PSA: 17.07000
• Density: 0.961 g/cm³
• LogP: 2.38050
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

4-Ethylphenylacetone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Ethylphenylacetone

There total 6 articles about 4-Ethylphenylacetone 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: 73.0%

C11H12N2O3S (1401722-49-3) + acetone (67-64-1) → 1-(4-ethylphenyl)propan-2-one (75251-24-0)

Guidance literature:

With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 80 ℃; for 16h; chemoselective reaction; Inert atmosphere;

DOI:10.1002/chem.201201394

Reference yield: 45.0%

Isopropenyl acetate (108-22-5) + 4-aminoethylbenzene (589-16-2) → 1-(4-ethylphenyl)propan-2-one (75251-24-0)

Guidance literature:

With hydrogenchloride; tin; tin(ll) chloride; sodium nitrite; In water; N,N-dimethyl-formamide; acetone; at 0 - 20 ℃; Reagent/catalyst;

DOI:10.1080/00397911.2019.1704786

Reference yield: 43.0%

Isopropenyl acetate (108-22-5) + 4-ethylbenzenediazonium tetrafluoroborate (52436-73-4) → 1-(4-ethylphenyl)propan-2-one (75251-24-0)

Guidance literature:

With tetrakis(pentafluorophenyl)porphyrin; In nitromethane; N,N-dimethyl-formamide; at 0 ℃; for 2h; Sealed tube; Inert atmosphere; Darkness; Irradiation;

DOI:10.1021/acs.joc.8b02355

upstream raw materials:

2-acetyl-(4-ethylphenyl)acetonitrile

mercury (II) chloride

aluminium

4-methoxyphenyl 1H-imidazole-1-sulfonate

Downstream raw materials:

3-(4-ethylphenyl)butan-2-one

4-acetyloxyacetophenone

1-benzyl-4-ethylbenzene

(E)-N-<2-(4-Ethylphenyl)-1-methylethyliden>benzolamin

Refernces

• 1、 De Souza, Aline A. N.,Silva, Nathalia S.,Müller, Andressa V.,Polo, André S.,Brocksom, Timothy J.,De Oliveira, Kleber T.. "Porphyrins as Photoredox Catalysts in Csp2-H Arylations: Batch and Continuous Flow Approaches". . p. 15077 - 15086. Retrieved 2019/01/03.
• 2、 -. "Arylethanolamine derivatives, their preparation and use in pharmaceutical compositions". . . Retrieved 2008/06/13.