4-Acetyl-4'-ethylbiphenyl

Base Information

• Chemical Name: 4-Acetyl-4'-ethylbiphenyl
• CAS No.: 5730-92-7
• Molecular Formula: C16H16O
• Molecular Weight: 224.302
• DSSTox Substance ID: DTXSID90571198
• Nikkaji Number: J918.544E
• Wikidata: Q82459217
• Mol file: 5730-92-7.mol

Synonyms:4-ACETYL-4'-ETHYLBIPHENYL;5730-92-7;1-[4-(4-ethylphenyl)phenyl]ethanone;1-(4'-Ethyl-[1,1'-biphenyl]-4-yl)ethanone;SCHEMBL1622617;DTXSID90571198;1-(4'-ethylbiphenyl-4-yl)ethanone;AKOS010262595;1-(4'-Ethyl-biphenyl-4-yl)-ethanone;1-(4'-Ethyl[1,1'-biphenyl]-4-yl)ethan-1-one;A831385

Chemical Property of 4-Acetyl-4'-ethylbiphenyl

Chemical Property:

• Boiling Point: 350.8 °C at 760 mmHg
• Flash Point: 150.6 °C
• PSA: 17.07000
• Density: 1.023 g/cm³
• LogP: 4.11860
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 224.120115130
• Heavy Atom Count: 17
• Complexity: 242

Purity/Quality:

98%Min ^*data from raw suppliers

4-ACETYL-4'-ETHYLBIPHENYL 99.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C

Technology Process of 4-Acetyl-4'-ethylbiphenyl

There total 16 articles about 4-Acetyl-4'-ethylbiphenyl 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: 98.0%

1-[4'-ethenyl-(1,1'-biphenyl)-4-yl]-ethanone → 1-(4'-ethyl-[1,1'-biphenyl]-4-yl)ethan-1-one (5730-92-7)

Guidance literature:

With 1,4-dioxane; bis(1,5-cyclooctadiene)diiridium(I) dichloride; 1,2-bis-(dicyclohexylphosphino)ethane; at 130 ℃; for 10h; chemoselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.9b01989

Reference yield: 96.0%

4-ethylphenylboronic acid (63139-21-9) + para-bromoacetophenone (99-90-1) → 1-(4'-ethyl-[1,1'-biphenyl]-4-yl)ethan-1-one (5730-92-7)

Guidance literature:

With potassium carbonate; In water; at 100 ℃; for 0.666667h;

DOI:10.1002/hlca.201400331

Reference yield: 90.0%

4-ethylphenylboronic acid (63139-21-9) + para-chloroacetophenone (99-91-2) → 1-(4'-ethyl-[1,1'-biphenyl]-4-yl)ethan-1-one (5730-92-7)

Guidance literature:

With C₂₀H₂₀Br₂Cl₂O₂PdS₂; caesium carbonate; In water; N,N-dimethyl-formamide; at 100 ℃; for 2h;

DOI:10.1016/j.molstruc.2017.01.063

upstream raw materials:

4-ethylbiphenyl

acetyl chloride

para-bromoacetophenone

4-ethylphenylboronic acid

Downstream raw materials:

4-(4-ethylphenyl)benzoic acid

4,4'-diethylbiphenyl

Refernces

• 1、 Niu, Kaikai,Shi, Xiaodi,Ding, Ling,Liu, Yuxiu,Song, Hongjian,Wang, Qingmin. "HCl-Catalyzed Aerobic Oxidation of Alkylarenes to Carbonyls". . . Retrieved 2021/12/13.
• 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.