2-(1-Phenylethyl)-p-xylene

Base Information

• Chemical Name: 2-(1-Phenylethyl)-p-xylene
• CAS No.: 6165-51-1
• Molecular Formula: C16H18
• Molecular Weight: 210.319
• Hs Code.: 2902909090
• European Community (EC) Number: 228-201-0
• UNII: 3737UVL532
• DSSTox Substance ID: DTXSID30879781
• Nikkaji Number: J116.695F
• Wikidata: Q27256616
• Mol file: 6165-51-1.mol

Synonyms:2-(1-Phenylethyl)-p-xylene;1-Phenyl-1-(2,5-xylyl)ethane;6165-51-1;1,4-dimethyl-2-(1-phenylethyl)benzene;EINECS 228-201-0;Benzene, 1,4-dimethyl-2-(1-phenylethyl)-;UNII-3737UVL532;3737UVL532;2-(alpha-Methylbenzyl)-p-xylene;DTXSID30879781;1-(2,5-dimethyl)-1-phenylethane;1-phenyl-1-(2,5-dimethylphenyl)ethane;1-(2,5-dimethyl-phenyl)-1-phenyl-ethane;2-(.ALPHA.-METHYLBENZYL)-P-XYLENE;Benzene, 1,4-dimethyl-2-(1-phenylethyl);J116.695F;2,5,.ALPHA.-TRIMETHYLDIPHENYLMETHANE;ETHANE, 1-PHENYL-1-(2,5-XYLYL)-;Q27256616

Chemical Property of 2-(1-Phenylethyl)-p-xylene

Chemical Property:

• Vapor Pressure: 0.00179mmHg at 25°C
• Melting Point: 102-103 °C
• Boiling Point: 302.3°C at 760 mmHg
• Flash Point: 139.8°C
• PSA: 0.00000
• Density: 0.961g/cm³
• LogP: 4.45520
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 210.140850574
• Heavy Atom Count: 16
• Complexity: 202

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C)C(C)C2=CC=CC=C2

Technology Process of 2-(1-Phenylethyl)-p-xylene

There total 15 articles about 2-(1-Phenylethyl)-p-xylene 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: 97.0%

para-xylene (106-42-3) + (1-bromoethyl)benzne (585-71-7,38661-81-3) → 1,4-dimethyl-2-(1-phenylethyl)benzene (6165-51-1)

Guidance literature:

With graphite-supported iron oxide nanoparticles; for 4h; Reflux;

DOI:10.1055/s-0029-1218851

Reference yield: 96.0%

para-xylene (106-42-3) + 1-Phenylethanol (98-85-1,13323-81-4) → 1,4-dimethyl-2-(1-phenylethyl)benzene (6165-51-1)

Guidance literature:

With molybdenum oxide catalyst prepared by precipitation method; at 110 ℃; for 0.75h; regioselective reaction; Inert atmosphere;

DOI:10.1039/b803205j

Reference yield: 90.0%

4-bromo-m-xylene (553-94-6) + 1-phenylethyl 2,2,2-trifluoroacetate (1524-12-5) → 1,4-dimethyl-2-(1-phenylethyl)benzene (6165-51-1)

Guidance literature:

4-bromo-m-xylene; With n-butyllithium; In tetrahydrofuran; at -78 - 20 ℃; for 0.5h; Inert atmosphere;

With zinc(II) chloride; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

1-phenylethyl 2,2,2-trifluoroacetate; With zinc(II) chloride; In toluene; at 50 ℃; for 24h; Inert atmosphere;

DOI:10.1002/anie.201002116

upstream raw materials:

styrene

para-xylene

1-Phenylethanol

1-phenylethyl acetate

Downstream raw materials:

benzophenone-2,5-dicarboxylic acid

Refernces

• 1、 Ang, Hwee Ting,Rygus, Jason P. G.,Hall, Dennis G.. "Two-component boronic acid catalysis for increased reactivity in challenging Friedel-Crafts alkylations with deactivated benzylic alcohols". supporting information. p. 6007 - 6014. Retrieved 2019/06/24.
• 2、 Semba, Kazuhiko,Ariyama, Kenta,Zheng, Hong,Kameyama, Ryohei,Sakaki, Shigeyoshi,Nakao, Yoshiaki. "Reductive cross-coupling of conjugated arylalkenes and aryl bromides with hydrosilanes by cooperative palladium/copper catalysis". supporting information. p. 6275 - 6279. Retrieved 2016/05/24.