4-tert-Butoxystyrene

Base Information

• Chemical Name: 4-tert-Butoxystyrene
• CAS No.: 95418-58-9
• Molecular Formula: C₁₂H₁₆O
• Molecular Weight: 176.258
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID30341978
• Nikkaji Number: J254.910G
• Wikidata: Q72510613
• Mol file: 95418-58-9.mol

Synonyms:4-tert-Butoxystyrene;95418-58-9;4-t-Butoxystyrene;p-tert-butoxystyrene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-(tert-butoxy)-4-ethenylbenzene;Benzene, 1-(1,1-dimethylethoxy)-4-ethenyl-;4-tert-Butoxystyrene (stabilized with TBC);1-tert-Butoxy-4-vinylbenzene;p-t-butoxystyrene;p-tertbutoxystyrene;p-t-butoxy styrene;4-tert-butyloxystyrene;SCHEMBL131860;1-tert-Butoxy-4-vinylbenzene #;DTXSID30341978;MFCD00145183;AKOS008996495;B1443;FT-0659238;EN300-18637;Z87001635;4-tert-Butoxystyrene, 99%, contains 200 ppm 4-tert-butylcatechol as inhibitor;95418-60-3

Chemical Property of 4-tert-Butoxystyrene

Chemical Property:

• Vapor Pressure: 0.0243mmHg at 25°C
• Melting Point: -38 °C(lit.)
• Refractive Index: n20/D 1.524(lit.)
• Boiling Point: 256.8 °C at 760 mmHg
• Flash Point: 97.1 °C
• PSA: 9.23000
• Density: 0.933 g/cm³
• LogP: 3.50690
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

1-(tert-Butoxy)-4-ethenylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC1=CC=C(C=C1)C=C
• Description: 4-tert-butoxystyrene is a pendant functionalized styrene that structurally, It is similar to PMOS, both carrying an alkoxyl p-substituent, whose electron-donating and resonance effects allow them to be'polymerized by cationic, anionic, and radical mechanisms. It is used to treatment of its polymers with an acid leads to poly(4-vinylphenol), which finds a wide variety of applications to photoresists, epoxy-curing agents, adhesives, etc.).
• Uses: 4-tert-Butoxystyrene is used in organic synthesis. It is used to synthesize 4'-tert-butoxy-biphenyl-4-carboxylic acid methyl ester.

Technology Process of 4-tert-Butoxystyrene

There total 6 articles about 4-tert-Butoxystyrene 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: 98.0%

6-methyl-2-vinyl-1,3,6,2-dioxazaborocane-4,8-dione (1104636-73-8) + 4-tert-butoxychlorobenzene (18995-35-2) → 4-tert-butoxystyrene (95418-58-9)

Guidance literature:

6-methyl-2-vinyl-1,3,6,2-dioxazaborocane-4,8-dione; 4-tert-butoxychlorobenzene; With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; In 1,4-dioxane; at 23 ℃; for 0.166667h; Inert atmosphere;

With potassium phosphate; water; In 1,4-dioxane; at 23 - 60 ℃; for 6.5h; Inert atmosphere;

Reference yield: 98.0%

→ 4-tert-butoxystyrene (95418-58-9)

Guidance literature:

Reference yield: 79.0%

vinylboronic acid (4363-34-2) + 4-tert-butoxychlorobenzene (18995-35-2) → 4-tert-butoxystyrene (95418-58-9)

Guidance literature:

vinylboronic acid; 4-tert-butoxychlorobenzene; With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; In 1,4-dioxane; at 23 ℃; for 0.166667h; Inert atmosphere;

With potassium phosphate; In 1,4-dioxane; water; at 23 - 60 ℃; for 6.5h; Inert atmosphere;

upstream raw materials:

6-methyl-2-vinyl-1,3,6,2-dioxazaborocane-4,8-dione

4-tert-butoxychlorobenzene

vinylboronic acid

acrylic acid

Refernces

• 1、 Landge, Vinod G.,Yadav, Vinita,Subaramanian, Murugan,Dangarh, Pragya,Balaraman, Ekambaram. "Nickel(ii)-catalyzed direct olefination of benzyl alcohols with sulfones with the liberation of H2". supporting information. p. 6130 - 6133. Retrieved 2019/06/03.
• 2、 -. "SLOW RELEASE OF ORGANOBORONIC ACIDS IN CROSS-COUPLING REACTIONS". Page/Page column 45, 48. . Retrieved 2010/04/27.