2,6-Dimethylstyrene

Base Information

• Chemical Name: 2,6-Dimethylstyrene
• CAS No.: 2039-90-9
• Molecular Formula: C10H12
• Molecular Weight: 132.205
• Hs Code.: 2902909090
• European Community (EC) Number: 218-029-4
• DSSTox Substance ID: DTXSID20174333
• Nikkaji Number: J91.282D
• Wikidata: Q83044403
• Mol file: 2039-90-9.mol

Synonyms:2,6-DIMETHYLSTYRENE;2039-90-9;1,3-Dimethyl-2-vinylbenzene;2-ethenyl-1,3-dimethylbenzene;Benzene, 2-ethenyl-1,3-dimethyl-;Styrene, 2,6-dimethyl-;EINECS 218-029-4;2-vinyl-m-xylene;2,6-dimethyl-styrene;1,3-Dimethyl-2-ethenylbenzene;DTXSID20174333;Benzene,2-ethenyl-1,3-dimethyl-;MFCD00014938;AKOS006283306;AB89892;AS-76434;CS-0158030;FT-0709167;D94584;EN300-1856683;W-206512

Chemical Property of 2,6-Dimethylstyrene

Chemical Property:

• Vapor Pressure: 1.01mmHg at 25°C
• Melting Point: -38.6°C
• Refractive Index: 1.5330
• Boiling Point: 184.3°Cat760mmHg
• Flash Point: 56.8°C
• PSA: 0.00000
• Density: 0.893g/cm³
• LogP: 2.94640
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 132.093900383
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

98%min ^*data from raw suppliers

2,6-Dimethylstyrene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,6-Dimethylstyrene

There total 14 articles about 2,6-Dimethylstyrene 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: 99.0%

vinyl methanesulfonate (63918-53-6) + 2,6-dimethylbenzene boronic acid (100379-00-8) → 2,6-dimethylstyrene (2039-90-9)

Guidance literature:

With sodium tetrachloropalladate(II); cataCXium F sulf; potassium carbonate; In water; at 100 ℃; for 16h; Inert atmosphere;

DOI:10.1039/b924772f

Reference yield: 95.0%

vinyl 4-methylbenzenesulfonate (83813-73-4) + 2,6-dimethylbenzene boronic acid (100379-00-8) → 2,6-dimethylstyrene (2039-90-9)

Guidance literature:

With sodium tetrachloropalladate(II); cataCXium F sulf; potassium carbonate; In water; at 100 ℃; for 16h; Inert atmosphere;

DOI:10.1039/b924772f

Reference yield: 84.0%

rac-1-(2,6-dimethylphenyl)ethan-1-ol (19447-06-4,719304-89-9) → 2,6-dimethylstyrene (2039-90-9)

Guidance literature:

With potassium hydrogensulfate; hydroquinone; at 180 ℃; under 120 Torr;

upstream raw materials:

rac-1-(2,6-dimethylphenyl)ethan-1-ol

1,1-Bis-(2,6-dimethyl-phenyl)-ethan

1,1-bis-(2,4-dimethyl-phenyl)-ethane

Methyltriphenylphosphonium bromide

Downstream raw materials:

4-(2,6-Dimethyl-phenyl)-2,2-bis-trifluoromethyl-cyclobutane-1,1-dicarbonitrile

N,N-dimethyl-3-(2,6-dimethylphenyl)propanamide

benzo[d]thiazol-2-yl(2,6-dimethylphenyl)methanone

Refernces

• 1、 Lee, Dong-Hwan,Qian, Yingjie,Park, Ji-Hoon,Lee, Jong-Suk,Shim, Sang-Eun,Jin, Myung-Jong. "A highly active and general catalyst for the stille coupling reaction of unreactive aryl, heteroaryl, and vinyl chlorides under mild conditions". supporting information. p. 1729 - 1735. Retrieved 2013/07/19.
• 2、 Wright, Joseph A.,Gaunt, Matthew J.,Spencer, Jonathan B.. "Novel anti-Markovnikov regioselectivity in the Wacker reaction of styrenes". . p. 949 - 955. Retrieved 2007/10/03.