1-tert-Butyl-4-ethylbenzene

Base Information

• Chemical Name: 1-tert-Butyl-4-ethylbenzene
• CAS No.: 7364-19-4
• Molecular Formula: C12H18
• Molecular Weight: 162.275
• European Community (EC) Number: 230-903-7
• NSC Number: 159030
• DSSTox Substance ID: DTXSID40223857
• Nikkaji Number: J212.361D
• Wikidata: Q83102352
• Mol file: 7364-19-4.mol

Synonyms:1-tert-Butyl-4-ethylbenzene;7364-19-4;1-t-Butyl-4-ethylbenzene;p-tert-Butylethylbenzene;1-Ethyl-4-tert-butylbenzene;Benzene, 1-(1,1-dimethylethyl)-4-ethyl-;EINECS 230-903-7;NSC159030;p-(t-Butyl)ethylbenzene;1-ethyl-4-t-butylbenzene;DTXSID40223857;Benzene,1-dimethylethyl)-4-ethyl-;NSC 159030;NSC-159030;1-(1,1-dimethylethyl)-4-ethylbenzene;Benzene, 1-ethyl-4-(1,1-dimethylethyl);FT-0691174

Chemical Property of 1-tert-Butyl-4-ethylbenzene

Chemical Property:

• Vapor Pressure: 0.264mmHg at 25°C
• Melting Point: -38.35°C
• Refractive Index: 1.4933
• Boiling Point: 211.5°Cat760mmHg
• Flash Point: 75.9°C
• PSA: 0.00000
• Density: 0.858g/cm³
• LogP: 3.54650
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 162.140850574
• Heavy Atom Count: 12
• Complexity: 122

Purity/Quality:

99% ^*data from raw suppliers

1-TERT-BUTYL-4-ETHYLBENZENE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C(C)(C)C

Technology Process of 1-tert-Butyl-4-ethylbenzene

There total 39 articles about 1-tert-Butyl-4-ethylbenzene 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%

4-tert-Butylstyrene (1746-23-2,26009-55-2) → 4-ethyl-tert-butylbenzene (7364-19-4)

Guidance literature:

With hydrazine hydrate; In tetrahydrofuran; at 35 ℃; for 18h; Solvent; Irradiation;

DOI:10.1002/ejoc.201403021

Reference yield: 93.0%

4-tert-Butylstyrene (1746-23-2,26009-55-2) + 2-phenyl-1,3,2-benzodioxaborole (5747-23-9) → 4-ethyl-tert-butylbenzene (7364-19-4) + phenol (108-95-2,27073-41-2)

Guidance literature:

With oxygen; hydrazine hydrate; In acetonitrile; at 32 ℃; for 4.5h; under 760.051 Torr; Schlenk technique;

DOI:10.1002/ejoc.201501222

Reference yield: 90.0%

triethyl borane (97-94-9) + 4-tert-butylphenyl triflate (154318-75-9) → 4-ethyl-tert-butylbenzene (7364-19-4)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; cesium acetate; In tetrahydrofuran; Reflux; Inert atmosphere;

DOI:10.1002/ejoc.200900538

upstream raw materials:

2-methyl-propan-1-ol

ethylbenzene

t-butyl bromide

Isobutyl bromide

Downstream raw materials:

2-ethyl-5-tert-butyl-benzyl chloride

C₁₂H₁₇NO₂

5-tert-Butyl-2-ethyl-benzenesulfonamide

2-amino-4-(4′-tert-butylphenyl)thiazole

Refernces

• 1、 Sang, Sier,Unruh, Tobias,Demeshko, Serhiy,Domenianni, Luis I.,van Leest, Nicolaas P.,Marquetand, Philipp,Schneck, Felix,Würtele, Christian,de Zwart, Felix J.,de Bruin, Bas,González, Leticia,V?hringer, Peter,Schneider, Sven. "Photo-Initiated Cobalt-Catalyzed Radical Olefin Hydrogenation". . p. 16978 - 16989. Retrieved 2021/08/09.
• 2、 Gallou, Fabrice,Gao, Eugene S.,Lipshutz, Bruce H.,Takale, Balaram S.,Thakore, Ruchita R.. "Environmentally responsible, safe, and chemoselective catalytic hydrogenation of olefins: ppm level Pd catalysis in recyclable water at room temperature". supporting information. p. 6055 - 6061. Retrieved 2020/10/14.