4-Ethylbenzophenone

Base Information

• Chemical Name: 4-Ethylbenzophenone
• CAS No.: 18220-90-1
• Molecular Formula: C15H14 O
• Molecular Weight: 210.276
• Hs Code.: 2914399090
• European Community (EC) Number: 242-101-4
• UNII: 2PJ45A2ULA
• DSSTox Substance ID: DTXSID40171268
• Nikkaji Number: J266.060A
• Wikidata: Q83041357
• Mol file: 18220-90-1.mol

Synonyms:4-ETHYLBENZOPHENONE;18220-90-1;(4-ethylphenyl)(phenyl)methanone;(4-ethylphenyl)-phenylmethanone;Methanone, (4-ethylphenyl)phenyl-;EINECS 242-101-4;p-Ethylbenzophenone;4-Aethylbenzophenon;4-Ethylbenziphenone;Benzophenone, 4-ethyl-;2PJ45A2ULA;SCHEMBL975055;(4-Ethylphenyl)phenylmethanone;(4-ethylphenyl)-phenyl-methanone;DTXSID40171268;MFCD00015177;AKOS009158492;AS-61582;FT-0618406;A20754

Chemical Property of 4-Ethylbenzophenone

Chemical Property:

• Vapor Pressure: 9.04E-05mmHg at 25°C
• Refractive Index: 1.5935
• Boiling Point: 331.9°Cat760mmHg
• Flash Point: 141.8°C
• PSA: 17.07000
• Density: 1.049g/cm³
• LogP: 3.48000
• Water Solubility.: Insoluble in water.
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 210.104465066
• Heavy Atom Count: 16
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

4-Ethylbenzophenone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
• Uses: 4-Ethylbenzophenone is used in preparation crystal structure of biphenyl palladium azacyclic carbene complex catalyst in preparation of (phenyl)(aryl)methanone via acylative Suzuki coupling.

Technology Process of 4-Ethylbenzophenone

There total 59 articles about 4-Ethylbenzophenone 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: 82.0%

ethylbenzene (100-41-4,27536-89-6) + benzoyl chloride (98-88-4) → 4-ethylbenzophenone (18220-90-1)

Guidance literature:

With VNU-1; In nitrobenzene; at 120 ℃; for 0.0833333h; Microwave irradiation;

DOI:10.1039/c6dt00827e

Reference yield: 70.0%

(4-ethyl-phenyl)-phenyl-methanone oxime → 4-ethylbenzophenone (18220-90-1)

Guidance literature:

With perchloric acid; N-chloro-3-methyl-2,6-diphenylpiperidin-4-one; In ethanol; water; for 3.5h;

DOI:10.1081/SCC-120022470

Reference yield: 60.0%

1-Ethyl-3-trimethylsilylbenzol (17988-51-1) + benzoyl chloride (98-88-4) → 4-ethylbenzophenone (18220-90-1) + 3-ethylbenzophenone (66067-43-4)

Guidance literature:

With chlorure d'aluminium; In dichloromethane; for 48h; Heating;

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

upstream raw materials:

ethylbenzene

benzoyl fluoride

benzoyl chloride

ethyl bromide

Downstream raw materials:

[4-(1-bromoethyl)phenyl](phenyl)methanone

N-(4-ethylphenyl)benzamide

4-ethyl-N-phenyl benzamide

4-ethyl-benzhydryl chloride

Refernces

• 1、 Effenberger,Buckel,Maier,Schmider. "Perfluoroalkanesulfonic acid catalyzed acylations of alkylbenzenes: Synthesis of alkylanthraquinones". . p. 1427 - 1430. Retrieved 2000.
• 2、 Li, Zhibin,Zhang, Yan,Li, Kuiliang,Zhou, Zhenghong,Zha, Zhenggen,Wang, Zhiyong. "Selective electrochemical oxidation of aromatic hydrocarbons and preparation of mono/multi-carbonyl compounds". . p. 2134 - 2141. Retrieved 2021/09/29.
• 3、 -. "Method for selectively synthesizing benzyl trifluoromethyl sulfide". Paragraph 0026-0030. . Retrieved 2020/05/29.