98-19-1

Basic information

• Product Name: 5-TERT-BUTYL-M-XYLENE
• Synonyms: 5-TERT-BUTYL-M-XYLENE;1,3-DIMETHYL-5-TERT-BUTYLBENZENE;1-TERT-BUTYL-3,5-DIMETHYLBENZENE;SYM-TERT-BUTYL-M-XYLENE;1-(1,1-dimethylethyl)-3,5-dimethyl-benzen;1-(1,1-Dimethylethyl)-3,5-dimethylbenzene;1-(1,1-dimethylethyl)-3,5-dimethyl-Benzene;1,3-dimethyl-5-(1,1-dimethylethyl)-benzen
• CAS NO: 98-19-1
• Molecular Formula: C₁₂H₁₈
• Molecular Weight: 162.27
• EINECS: 202-647-6
• Mol File: 98-19-1.mol
• Article Data: 13

Chemical Properties

• Melting Point: -18 °C
• Boiling Point: 205-206 °C(lit.)
• Flash Point: 162 °F
• Appearance: clear colourless to slightly yellow liquid
• Density: 0.867 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.316mmHg at 25°C
• Refractive Index: n20/D 1.495(lit.)
• Storage Temp.: Store below +30°C.
• BRN: 1853314
• CAS DataBase Reference: 5-TERT-BUTYL-M-XYLENE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-TERT-BUTYL-M-XYLENE(98-19-1)
• EPA Substance Registry System: 5-TERT-BUTYL-M-XYLENE(98-19-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• RTECS: ZE3900000
• TSCA: Yes
• Hazardous Substances Data: 98-19-1(Hazardous Substances Data)

Usage

Uses

1-tert-Butyl-3,5-dimethylbenzene has been used in the synthesis of bulky, multi-alkylated diaryl disulfides such as bis(4-tert-butyl-2,6-dimethylphenyl) disulfide and bis(2,4,6-triisopropylphenyl) disulfide.

General Description

1-tert-Butyl-3,5-dimethylbenzene participates in the cascade diarylation of N-phenylacetamides with non-prefunctionalized arenes.

InChI:InChI=1/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3

Upstream product

• 58537-98-7 2,6-dimethyl-4-tert-butylbenzoic acid 
• 75-28-5 Isobutane 
• 108-38-3 m-xylene 
• 57834-94-3 1-(2,4-dimethylphenyl)-2-methylpropane 
• 7705-08-0 iron(III) chloride 
• 34696-74-7 3,5-dimethylcumyl alcohol 
• 10477-70-0 1-(1-Chloro-1-methyl-ethyl)-3,5-dimethyl-benzene 
• 75-24-1 trimethylaluminum 
• 5379-16-8 3,5-dimethylacetophenone 
• 115-11-7 isobutene 
• 1483-60-9 1-(sec-butyl)-2,4-dimethylbenzene 
• 7446-70-0 aluminium trichloride 
• 67-56-1 methanol 
• 75-65-0 tert-butyl alcohol 

Downstream Products

• 108838-29-5 5-tert-butyl-2-isopropyl-1,3-dimethyl-benzene 
• 96857-28-2 1,3-diethyl-2,4-dimethyl-benzene 
• 62379-79-7 1,3-dimethyl-5-(1-methyl-cyclopentyl)-benzene 
• 5345-05-1 4-t-butyl-2,6-dimethylbromobenzene 
• 2359-09-3 5-t-butylisophthalic acid 
• 81-15-2 musk xylene 
• 98-23-7 1,2,3-trimethyl-5-tert-butylbenzene 
• 39568-70-2 1,2,3,5-tetrabromo-4,6-dimethyl-benzene 
• 6279-89-6 2-Nitro-5-tert-butyl-m-xylene 
• 106273-86-3 1-tert-butyl-3,5-dimethyl-2-nitro-benzene 
• 65276-19-9 2-ethyl-5-tert-butyl-1,3-dimethyl-benzene 
• 64726-28-9 5-tert-butyl-1,3-bis(bromomethyl)benzene 
• 105474-57-5 3-tert-butyl-5-methyl-benzyl bromide 
• 28188-48-9 4-tert-butyl-2,6-dimethyl-benzenesulfonic acid 

Relevant articles and documents

Method for synthesizing musk xylene from gamma-lactone byproduct azeotrope

The invention discloses a method for synthesizing musk xylene from a gamma-lactone byproduct azeotrope. The method comprises the following steps: 1, carrying out chlorination reaction on tert-butyl alcohol namely a byproduct in the production process of gamma-lactone and hydrochloric acid to obtain chloro-tert-butane; 2, carrying out a condensation reaction on chloro-tert-butane and m-xylene, neutralizing, washing with water, and distilling to recover m-xylene so as to obtain 1,3-dimethyl-5-tert-butyl benzene; and 3, carrying outnitration reaction on 1,3-dimethyl-5-tert-butyl benzene to obtain a musk xylene crude product, carrying out neutralization washing, crystallization, centrifugation and a series of separation and purification to obtain a 99% musk xylene product. An initiator di-tert-butyl peroxide used in the production process of gamma-lactone is hydrolyzed, the high-content musk xylene is prepared from the generated byproduct 80% tert-butyl alcohol and a water azeotrope starting raw material through chlorination, condensation and nitration reactions, the synthesis steps are relatively simple, and the byproduct resources are comprehensively utilized.

A tubular reactor for the preparation of 5 - tert-butyl m-xylene method (by machine translation)

The invention discloses a tubular reactor for the preparation of 5 - tert-butyl m-xylene method, comprises the following steps: S1, preparation auxiliary catalyst; S2, the auxiliary catalyst and aluminum trichloride is blended into the composite catalyst, the composite catalyst and meta-xylene mixed to obtain the raw material A, B [...] butyl chlorine as the raw material, the raw material A and B respectively adopt two feeding manner to feed reaction; S3, to the reaction solution after the reaction post processing to obtain 5 - tert butyl m-xylene product. The invention greatly shortens the reaction time, significantly increases the conversion rate, reduce the formation of by-products, with simple and clear operation, safety and reliability, the prepared 5 - tert-butyl-xylene yield of 95% or more, more traditional technique improves the 20% or more, has solved the traditional kettle type reactor in the process of the impact of the back, and the problem of charge and the ex-denning is difficult. (by machine translation)

Nickel-catalyzed Kumada cross-coupling reactions of tertiary alkylmagnesium halides and aryl bromides/triflates

We report a Ni-catalyzed process for the cross-coupling of tertiary alkyl nucleophiles and aryl bromides. This process is extremely general for a wide range of electrophiles and generally occurs with a ratio of retention to isomerization >30:1. The same procedure also accommodates the use of aryl triflates, vinyl chlorides, and vinyl bromides as the electrophilic component.