2,4,6-Trimethylstyrene

Base Information

• Chemical Name: 2,4,6-Trimethylstyrene
• CAS No.: 769-25-5
• Molecular Formula: C11H14
• Molecular Weight: 146.232
• Hs Code.: 2902909090
• European Community (EC) Number: 212-205-4
• NSC Number: 51012
• UNII: 89FV7YQ871
• DSSTox Substance ID: DTXSID20227691
• Nikkaji Number: J150.369C
• Wikidata: Q27270039
• Mol file: 769-25-5.mol

Synonyms:2,4,6-TRIMETHYLSTYRENE;769-25-5;1,3,5-Trimethyl-2-vinylbenzene;2-Vinylmesitylene;Vinylmesitylene;Mesitylethylene;Benzene, 2-ethenyl-1,3,5-trimethyl-;2-ethenyl-1,3,5-trimethylbenzene;Styrene, 2,4,6-trimethyl-;UNII-89FV7YQ871;89FV7YQ871;EINECS 212-205-4;NSC-51012;DTXSID20227691;NSC 51012;1,3,5-Trimethyl-2-vinyl-benzene;NSC51012;MFCD00008613;2,6-Trimethylstyrene;Styrene,4,6-trimethyl-;PDELBHCVXBSVPJ-UHFFFAOYSA-;DTXCID70150182;1-ethenyl-2,4,6-trimethylbenzene;2-ethenyl-1,3,5-trimethyl-benzene;1,3,5-Trimethyl-2-vinylbenzene #;AKOS009156971;BS-22801;CS-0179392;FT-0609913;T0493;2,4,6-Trimethylstyrene (stabilized with TBC);D92351;2,4,6-Trimethylstyrene, >/=97%,stabilized with TBC;Q27270039;2,4,6-Trimethylstyrene, 95%, contains <0.05% tert-butylcatechol as inhibitor

Chemical Property of 2,4,6-Trimethylstyrene

Chemical Property:

• Vapor Pressure: 0.329mmHg at 25°C
• Melting Point: -37°C
• Refractive Index: 1.5320
• Boiling Point: 207.2 °C at 760 mmHg
• Flash Point: 71.8 °C
• PSA: 0.00000
• Density: 0.89 g/cm³
• LogP: 3.25480
• Storage Temp.: 2-8°C
• Solubility.: Soluble in methanol.
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 146.109550447
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4,6-Trimethylstyrene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 23-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)C=C)C
• Uses: 2,4,6-Trimethylstyrene is used as an intermediate to produce other chemicals like 2-Methoxy-1-(2, 4, 6-trimethyl-phenyl)-ethanone.

Technology Process of 2,4,6-Trimethylstyrene

There total 30 articles about 2,4,6-Trimethylstyrene 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%

tetramethyldivinyldisiloxane (2627-95-4) + 2,4,6-trimethylphenyl bromide (576-83-0) → 2,4,6-trimethylstyrene (769-25-5)

Guidance literature:

With johnphos; bis(η3-allyl-μ-chloropalladium(II)); In N,N-dimethyl-formamide; at 40 ℃; for 24h;

DOI:10.1021/ja7100888

Reference yield: 95.0%

mesytaldehyde (487-68-3) + 1-methyl-2-(methylsulfonyl)-1H-benzo[d]imidazole (61078-14-6) → 2,4,6-trimethylstyrene (769-25-5)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/acs.joc.0c01227

Reference yield: 91.0%

Triethoxyvinylsilane (78-08-0) + 2-bromomesitylene (1667-04-5) → 2,4,6-trimethylstyrene (769-25-5)

Guidance literature:

With Pd((CH₃)2C₆H₃NC(CH₃)CHC(CH₃)NC₆H₃(CH₃)2)(CH₃)(P(CH₂CH₃)3); tetrabutylammomium bromide; sodium hydroxide; In water; at 60 ℃; for 8h; Inert atmosphere;

DOI:10.1039/c0cc03535a

upstream raw materials:

1-mesitylethanol

acetylene

1,3,5-trimethyl-benzene

2-(2,4,6-Trimethyl-phenyl)-ethyl-p-toluolsulfonat

Downstream raw materials:

2-(2,4,6-trimethylphenyl)oxirane

ethylmesitylene

2-(1,2-dibromo-ethyl)-1,3,5-trimethyl-benzene

3-phenyl-5-(2,4,6-trimethyl-phenyl)-isoxazole

Refernces

• 1、 Huang, Xia,Jin, Jian,Lei, Chuanhu,Su, Mincong. "Nickel-Catalyzed Reductive Cross-Coupling of Aryl Bromides with Vinyl Acetate in Dimethyl Isosorbide as a Sustainable Solvent". supporting information. . Retrieved 2022/01/15.
• 2、 Mato, Mauro,Echavarren, Antonio M.. "Donor Rhodium Carbenes by Retro-Buchner Reaction". supporting information. p. 2088 - 2092. Retrieved 2019/01/25.