1,3-DI-TERT-BUTYLBENZENE

Base Information

• Chemical Name: 1,3-DI-TERT-BUTYLBENZENE
• CAS No.: 1014-60-4
• Molecular Formula: C14H22
• Molecular Weight: 190.329
• Mol file: 1014-60-4.mol

Synonyms:m-Di-tert-butylbenzene;1,3-Di-tert-butylbenzene;2,4-Dimethylisopropylbenzene;

Chemical Property of 1,3-DI-TERT-BUTYLBENZENE

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 0.143mmHg at 25°C
• Melting Point: 10-11 °C(lit.)
• Refractive Index: n20/D 1.488(lit.)
• Boiling Point: 223.6 °C at 760 mmHg
• Flash Point: 83.9 °C
• PSA: 0.00000
• Density: 0.854 g/cm³
• LogP: 4.28160
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.

Purity/Quality:

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

1,3-Di-tert-butylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: 1,3-Di-tert-butylbenzene is used as a pharmaceutical intermediate.

Technology Process of 1,3-DI-TERT-BUTYLBENZENE

There total 53 articles about 1,3-DI-TERT-BUTYLBENZENE 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: 49.0%

2,2,4-trimethylpentane (540-84-1) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → tert-butylbenzene (253185-03-4,253185-04-5) + 1,4-di-tert-butylbenzene (1012-72-2) + 1,3-di-tert-butylbenzene (1014-60-4)

Guidance literature:

trifluorormethanesulfonic acid; antimony pentafluoride; at 23 ℃; for 2h; Product distribution; ultra sound; effect of use of var. cat., var. temp., and var. times;

Reference yield:

4-tert-butyl-1,1-dimethylindan (16204-73-2) → tert-butylbenzene (253185-03-4,253185-04-5) + 1,1-dimethylindan (4912-92-9) + 1,3-di-tert-butylbenzene (1014-60-4) + 5-(tert-butyl)-1,1-dimethyl-2,3-dihydro-1H-indene (38393-97-4) + 5-(1,1-dimethylethyl)-2,3-dihydro-3,3-methyl-1H-inden-1-one (38393-93-0)

Guidance literature:

With sulfuric acid; In benzene; at 22 ℃; for 3h; Product distribution; other concentration of H₂SO₄, time, and solvents, also alkylating agents; var. indanes;

DOI:10.1021/jo00341a032

Reference yield:

tert-butylbenzene (253185-03-4,253185-04-5) → 1-bromo-4-tert-butylbenzene (3972-65-4) + 1,3-di-tert-butylbenzene (1014-60-4) + 1-bromo-3-(tertbutyl)benzene (3972-64-3) + 2-tert-butylbromobenzene (7073-99-6)

Guidance literature:

With bromine; at 25 ℃; for 20h; Yield given; Irradiation;

upstream raw materials:

1,4-di-tert-butylbenzene

1,3-di-tert-butyl-cyclohexane

benzene

tertiary butyl chloride

Downstream raw materials:

3,5-di-tert-butylbenzoic acid

tert-butylbenzene

((CH₃)5C₅)Rh(P(CH₃)3)(H)(C₆H₃(C(CH₃)3)2)

(η5-C5Me5)(PMe3)Ir(3,5-C6H3(C(CH3)3)2)OTf

Refernces

• 1、 Butler et al.. "". . p. 1906. Retrieved 1954.
• 2、 Komen, Corine M.D.,Bickelhaupt, Friedrich. "Easy preparation of 1,3-di-tert-butylbenzene and some derivatives thereof". . p. 1693 - 1697. Retrieved 1996.
• 3、 Cheng, Jin-Pei,Yang, Jin-Dong,Zhang, Jingjing. "Exploiting the radical reactivity of diazaphosphinanes in hydrodehalogenations and cascade cyclizations". . p. 4786 - 4790. Retrieved 2020/06/18.
• 4、 -. "Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases". Paragraph 0703. . Retrieved 2015/09/22.