1-Benzyl-3-ethylbenzene

Base Information

• Chemical Name: 1-Benzyl-3-ethylbenzene
• CAS No.: 28122-24-9
• Molecular Formula: C15H16
• Molecular Weight: 196.292
• DSSTox Substance ID: DTXSID70950861
• Nikkaji Number: J116.807J
• Wikidata: Q82929041
• Mol file: 28122-24-9.mol

Synonyms:1-Benzyl-3-ethylbenzene;3-Ethyldiphenylmethane;28122-24-9;ETHYL(PHENYLMETHYL)BENZENE;Benzene, 1-ethyl-3-(phenylmethyl)-;42504-54-1;(3-ethylphenyl)phenylmethane;Benzene, ethyl(phenylmethyl)-;Methane, (m-ethylphenyl)phenyl-;DTXSID70950861;1-ethyl-3-(phenylmethyl)-benzene

Chemical Property of 1-Benzyl-3-ethylbenzene

Chemical Property:

• Vapor Pressure: 0.00327mmHg at 25°C
• Melting Point: -9.2°C
• Refractive Index: 1.5611
• Boiling Point: 292.1°Cat760mmHg
• Flash Point: 131.9°C
• PSA: 0.00000
• Density: 0.973g/cm³
• LogP: 3.83980
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 196.125200510
• Heavy Atom Count: 15
• Complexity: 167

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=CC=C1)CC2=CC=CC=C2

Technology Process of 1-Benzyl-3-ethylbenzene

There total 5 articles about 1-Benzyl-3-ethylbenzene 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:

ethylbenzene (100-41-4,27536-89-6) + benzyl alcohol (100-51-6,185532-71-2) → 1-benzyl-2-ethylbenzene (28122-25-0) + 1-benzyl-4-ethylbenzene (620-85-9) + (3-ethylphenyl)phenylmethane (28122-24-9)

Guidance literature:

With ytterbium(III) perfluorooctanesulfonate; In various solvent(s); at 100 ℃; for 12h;

DOI:10.1016/j.jfluchem.2005.03.010

Reference yield:

3-ethyl cyclohexanone (64847-85-4,74006-73-8,74006-74-9,22461-89-8) + benzylmagnesium chloride (6921-34-2) → (3-ethylphenyl)phenylmethane (28122-24-9)

Guidance literature:

With diethyl ether; Erhitzen des Reaktionsprodukts an Al₂O₃ auf 250-300grad und Erhitzen des Reaktionsprodukts an einem Chromoxid-Aluminiumoxid-Katalysator auf 450-475grad;

DOI:10.1021/ja01649a030

Reference yield:

benzyl bromide (100-39-0) → 1-benzyl-2-ethylbenzene (28122-25-0) + 1-benzyl-4-ethylbenzene (620-85-9) + (3-ethylphenyl)phenylmethane (28122-24-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydride / tetrahydrofuran / 0.5 h / 0 °C

2: boron trifluoride diethyl etherate / 2 h / 120 °C

With boron trifluoride diethyl etherate; sodium hydride; In tetrahydrofuran;

DOI:10.1039/c4gc00005f

upstream raw materials:

3-ethyl cyclohexanone

benzylmagnesium chloride

ethylbenzene

benzyl alcohol

Refernces

• 1、 Wang, Feng,Ueda, Wataru. "High catalytic efficiency of nanostructured molybdenum trioxide in the benzylation of arenes and an investigation of the reaction mechanism". experimental part. p. 742 - 753. Retrieved 2009/10/01.
• 2、 Yi, Wen-Bin,Cai, Chun. "Rare earth(III) perfluorooctanesulfonates catalyzed Friedel-Crafts alkylation in fluorous biphase system". . p. 831 - 833. Retrieved 2007/10/03.