Benzene, 1,2-dimethyl-4-(1-phenylethyl)-

Base Information

• Chemical Name: Benzene, 1,2-dimethyl-4-(1-phenylethyl)-
• CAS No.: 6196-95-8
• Deprecated CAS: 76090-67-0
• Molecular Formula: C16H18
• Molecular Weight: 210.319
• European Community (EC) Number: 228-249-2
• UNII: I150P0702M
• DSSTox Substance ID: DTXSID8027616
• Nikkaji Number: J3.085F
• Wikidata: Q27280233
• Mol file: 6196-95-8.mol

Synonyms:PDEPE;phenyl-1-(3,4-dimethyl)phenylethane

Chemical Property of Benzene, 1,2-dimethyl-4-(1-phenylethyl)-

Chemical Property:

• Vapor Pressure: 0.0014mmHg at 25°C
• Melting Point: -56 °C
• Refractive Index: 1.551
• Boiling Point: 306.4 °C at 760 mmHg
• Flash Point: 143 °C
• PSA: 0.00000
• Density: 0.961 g/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:

97%, ^*data from raw suppliers

1,2-DIMETHYL-4-(1-PHENYL-ETHYL)-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aromatic Hydrocarbons
• Canonical SMILES: CC1=C(C=C(C=C1)C(C)C2=CC=CC=C2)C

Technology Process of Benzene, 1,2-dimethyl-4-(1-phenylethyl)-

There total 21 articles about Benzene, 1,2-dimethyl-4-(1-phenylethyl)- 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: 100.0%

o-xylene (95-47-6) + bis(1-phenylethyl)ether (93-96-9) → 1,2-dimethyl-4-(1-phenylethyl)benzene (6196-95-8)

Guidance literature:

With iron(III) chloride; chloro-trimethyl-silane; In 1,2-dichloro-ethane; at 20 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1002/chem.201302862

Reference yield: 99.67%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + o-xylene (95-47-6) → 1,2-dimethyl-4-(1-phenylethyl)benzene (6196-95-8)

Guidance literature:

With cross-linked poly acidic ionic liquids; In N,N-dimethyl-formamide; at 120 ℃; for 3h; Solvent; Temperature; High pressure;

DOI:10.1016/j.apcata.2017.12.027

Reference yield: 93.9%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + o-xylene (95-47-6) → 1,2-dimethyl-2-(1-phenylethyl)benzene (81749-28-2) + 1,2-dimethyl-4-(1-phenylethyl)benzene (6196-95-8)

Guidance literature:

With immobilized 30percent 12-tungstophosphoric acid-imidazole(1H)-3-ium-3-triethoxysilylpropyl-1-(propyl-3-sulfonate) on mesoporous silica SBA-15; at 120 ℃; for 3h; Reagent/catalyst;

DOI:10.1039/c4ra03531c

upstream raw materials:

styrene

o-xylene

(1-nitroethyl)benzene

1-phenylethyl acetate

Downstream raw materials:

3,4-Dimethylphenol

acetophenone

3,4-dimethylacetophenone

phenol

Refernces

• 1、 Liu, Yonghui,Gao, Huaying,Sheng, Xiaoli,Zhou, Yuming,Wang, Beibei,Sha, Xiao,Jin, Maolu,Zhao, Jie,Liu, Wenqi. "The catalytic performance study of polymerized ionic liquid synthesized in different conditions on alkylation of o-Xylene with styrene". . . Retrieved 2019.
• 2、 Liao, Qiang,Liu, Yonghui,Sha, Xiao,Sheng, Xiaoli,Wang, Beibei,Zhou, Yuming,Zhu, Zhiying. "Synthesis of P123-Templated and DVB-Cross-linked Meso-macroporous Poly (ionic liquids) with High-Performance Alkylation". . . Retrieved 2020.
• 3、 Zhu, Zhiying,Wang, Beibei,Yao, Qingzhao,Zhou, Yuming,Yang, Haiyong,Liu, Yonghui. "H3PW12O40/mpg-C3N4 as an efficient and reusable catalyst in the alkylation of o-xylene and styrene". . . Retrieved 2019.
• 4、 Fu, Xiaoqin,Sheng, Xiaoli,Zhou, Yuming,Fu, Zhiwei,Zhao, Shuo,Bu, Xiaohai,Zhang, Chao. "Design of micro-mesoporous zeolite catalysts for alkylation". . p. 50630 - 50639. Retrieved 2016.