1-Benzyl-2-ethylbenzene

Base Information

• Chemical Name: 1-Benzyl-2-ethylbenzene
• CAS No.: 28122-25-0
• Molecular Formula: C15H16
• Molecular Weight: 196.292
• Hs Code.: 2902909090
• NSC Number: 92818
• DSSTox Substance ID: DTXSID20182397
• Nikkaji Number: J116.806A
• Wikidata: Q83053071
• Mol file: 28122-25-0.mol

Synonyms:1-Benzyl-2-ethylbenzene;2-Ethyldiphenylmethane;28122-25-0;Benzene, 1-ethyl-2-(phenylmethyl)-;Methane, (o-ethylphenyl)phenyl-;2'-Ethyldiphenylmethane;1-Ethyl-2-benzylbenzene;(2-ethylphenyl)phenylmethane;NSC92818;(o-ethylphenyl)phenylmethane;1-Benzyl-2-ethylbenzene #;1-Ethyl-2-(phenylmethyl)benzene;DTXSID20182397;NSC 92818;NSC-92818

Chemical Property of 1-Benzyl-2-ethylbenzene

Chemical Property:

• Vapor Pressure: 0.00422mmHg at 25°C
• Melting Point: -11.12°C
• Refractive Index: 1.5678
• Boiling Point: 287.7°Cat760mmHg
• Flash Point: 128.5°C
• PSA: 0.00000
• Density: 0.973g/cm³
• LogP: 3.83980
• XLogP3: 4.8
• 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:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=CC=C1CC2=CC=CC=C2

Technology Process of 1-Benzyl-2-ethylbenzene

There total 12 articles about 1-Benzyl-2-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: 15.0%

ethylbenzene (100-41-4,27536-89-6) + benzyl chloride (100-44-7) → 1-benzyl-2-ethylbenzene (28122-25-0) + 1-benzyl-4-ethylbenzene (620-85-9)

Guidance literature:

With C-undecylcalix[4]resorcinarene; In chloroform-d1; water; at 50 ℃; for 16h; Overall yield = 32 %;

DOI:10.1002/anie.201801642

Reference yield:

ethylbenzene (100-41-4,27536-89-6) + benzyl alcohol (100-51-6,185532-71-2) → dibenzyl ether (103-50-4) + 1-benzyl-2-ethylbenzene (28122-25-0) + 1-benzyl-4-ethylbenzene (620-85-9)

Guidance literature:

With nanoscopic partly hydroxylated AlF₃-50; at 120 ℃; for 24h; neat (no solvent);

DOI:10.1016/j.apcata.2010.08.004

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

upstream raw materials:

2-ethyl-benzhydrol

ethylbenzene

benzyl chloride

ortho-ethylaniline

Downstream raw materials:

1,1-diphenylpropane

(+/-)-cis-1-ethyl-2-cyclohexylmethyl-cyclohexane

(+/-)-trans-1-ethyl-2-cyclohexylmethyl-cyclohexane

Refernces

• 1、 La Manna, Pellegrino,Talotta, Carmen,Floresta, Giuseppe,De Rosa, Margherita,Soriente, Annunziata,Rescifina, Antonio,Gaeta, Carmine,Neri, Placido. "Mild Friedel–Crafts Reactions inside a Hexameric Resorcinarene Capsule: C?Cl Bond Activation through Hydrogen Bonding to Bridging Water Molecules". . p. 5423 - 5428. Retrieved 2018/04/09.
• 2、 Li, Yu,Xiong, Yan,Li, Xueming,Ling, Xuege,Huang, Ruofeng,Zhang, Xiaohui,Yang, Jianchun. "Benzylation of arenes with benzyl ethers promoted by the in situ prepared superacid BF3-H2O". supporting information. p. 2976 - 2981. Retrieved 2014/06/10.