4-tert-Butylstyrene

Base Information

• Chemical Name: 4-tert-Butylstyrene
• CAS No.: 1746-23-2
• Deprecated CAS: 2056117-86-1
• Molecular Formula: C12H16
• Molecular Weight: 160.259
• Hs Code.: 29029090
• European Community (EC) Number: 217-126-9
• UNII: 9PCT9CBW0V
• DSSTox Substance ID: DTXSID0022305
• Nikkaji Number: J112.945G
• Wikidata: Q27272862
• ChEMBL ID: CHEMBL3183165
• Mol file: 1746-23-2.mol

Synonyms:4-tert-Butylstyrene;1746-23-2;p-tert-Butylstyrene;1-tert-butyl-4-ethenylbenzene;p-t-Butylstyrene;Benzene, 1-(1,1-dimethylethyl)-4-ethenyl-;Styrene, p-tert-butyl-;1-(1,1-Dimethylethyl)-4-ethenylbenzene;1-tert-Butyl-4-vinylbenzene;EINECS 217-126-9;UNII-9PCT9CBW0V;9PCT9CBW0V;DTXSID0022305;EC 217-126-9;1-(tert-butyl)-4-vinylbenzene;4-t-butylstyrene;4-tert -butylstyrene;para-tert-butylstyrene;p -tert -Butylstyrene;4-TERT-BUTYLSTYLENE;4-tert-Butylstyrene, 95%;1-tert -Butyl-4-vinylbenzene;DTXCID802305;1-tert-Butyl-4-vinylbenzene #;CHEMBL3183165;4-(2-methyl-2-propyl) styrene;4-T-BUTYL STYRENE [INCI];AMY40231;Tox21_301673;MFCD00065126;1-ETHENYL-4-TERT-BUTYLBENZENE;AKOS009156696;NCGC00255395-01;1-(1,1-dimethylethyl)-4-ethenyl-benzen;BS-48273;4-tert-Butylstyrene (stabilized with TBC);CAS-1746-23-2;LS-184984;B1877;CS-0204477;FT-0619515;EN300-36459;F72282;Q27272862;F0001-0637;4-tert-Butylstyrene, 94%, stab. with 50ppm 4-tert-butylcatechol;4-tert-Butylstyrene, contains <=100 ppm tert-butylcatechol as inhibitor, 93%

Chemical Property of 4-tert-Butylstyrene

Chemical Property:

• Vapor Pressure: 0.25mmHg at 25°C
• Melting Point: -38°C
• Refractive Index: n20/D 1.526(lit.)
• Boiling Point: 91-92 °C9 mm Hg(lit.)
• Flash Point: 181 °F
• PSA: 0.00000
• Density: 0.875 g/mL at 25 °C(lit.)
• LogP: 3.62710
• Storage Temp.: Freezer
• Water Solubility.: Not miscible in water.
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 160.125200510
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

99.9% ^*data from raw suppliers

4-Tert-butylstyrene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Plastics & Rubber -> Styrenes
• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C=C
• Uses: 4-tert-Butylstyrene is used as pharmaceutical intermediates.

Technology Process of 4-tert-Butylstyrene

There total 51 articles about 4-tert-Butylstyrene 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%

1-bromo-4-tert-butylbenzene (3972-65-4) + tri-n-butyl(vinyl)tin (7486-35-3) → 4-tert-Butylstyrene (1746-23-2,26009-55-2)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; 2,8,9-tribenzyl-2,3,8,9-tetraaza-1-phosphabicyclo[3,3,3]undecane; cesium fluoride; In tetrahydrofuran; at 20 ℃; for 10h;

DOI:10.1021/ja0450096

Reference yield: 94.0%

4-tert-Butylphenylacetylene (772-38-3) → 4-tert-Butylstyrene (1746-23-2,26009-55-2)

Guidance literature:

With sodium dodecylbenzenesulfonate; hydrogen; palladium diacetate; In water; at 25 ℃; for 1.16667h; under 760.051 Torr;

DOI:10.1021/acs.joc.8b00314

Reference yield: 88.0%

1-(4-tert-butylphenyl)ethanol (101325-12-6,101325-14-8,119479-30-0,34386-42-0) → 4-tert-Butylstyrene (1746-23-2,26009-55-2)

Guidance literature:

With aluminum (III) chloride; triphenylphosphine; In nitromethane; at 80 ℃; for 2h;

DOI:10.1016/S1872-2067(15)61084-1

upstream raw materials:

1-(4-tert-butylphenyl)ethanol

[2-(4-tert-Butyl-phenyl)-ethyl]-trimethyl-stannane

Dimethoxymethane

4-tert-butyltoluene

Downstream raw materials:

C₄₂H₄₂

1-(4-tert.-Butylphenyl)-1.2-dibromaethan

(1RS,2RS)-ethyl 2-(4-(tert-butyl)phenyl)cyclopropanecarboxylate

(1RS,2SR)-ethyl 2-(4-(tert-butyl)phenyl)cyclopropanecarboxylate

Refernces

• 1、 Su, Mincong,Huang, Xia,Lei, Chuanhu,Jin, Jian. "Nickel-Catalyzed Reductive Cross-Coupling of Aryl Bromides with Vinyl Acetate in Dimethyl Isosorbide as a Sustainable Solvent". supporting information. p. 354 - 358. Retrieved 2022/01/15.
• 2、 -. "Method for selectively synthesizing cis-trans-olefin by catalytic alkyne semi-reduction through water-hydrogen-supplying palladium". Paragraph 0120; 0137-0140. . Retrieved 2021/10/30.