15181-11-0

Basic information

• Product Name: 3,5-DI-TERT-BUTYLTOLUENE
• Synonyms: 1,3-bis(1,1-dimethylethyl)-5-methylbenzene;1,3-di-tert-butyl-5-methyl-benzene;1,3-Ditert-butyl-5-methylbenzene;Benzene, 1,3-bis(1,1-dimethylethyl)-5-methyl-;Benzene, 1-methyl-3,5-bis-(1,1-dimethylethyl);benzene,1,3-bis(1,1-dimethylethyl)-5-methyl-;Toluene, 3,5-di-tert-butyl-;toluene,3,5-di-tert-butyl-
• CAS NO: 15181-11-0
• Molecular Formula: C₁₅H₂₄
• Molecular Weight: 204.35
• EINECS: 239-230-3
• Product Categories: Arenes;Building Blocks;Organic Building Blocks
• Mol File: 15181-11-0.mol
• Article Data: 19

Chemical Properties

• Melting Point: 31-32 °C(lit.)
• Boiling Point: 244 °C(lit.)
• Flash Point: 196 °F
• Appearance: /
• Density: 0.86 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0486mmHg at 25°C
• Refractive Index: n20/D 1.49(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• BRN: 2043032
• CAS DataBase Reference: 3,5-DI-TERT-BUTYLTOLUENE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-DI-TERT-BUTYLTOLUENE(15181-11-0)
• EPA Substance Registry System: 3,5-DI-TERT-BUTYLTOLUENE(15181-11-0)

Safety Data

• Statements: 36/37/38
• Safety Statements: 23-24/25
• WGK Germany: 3
• Hazardous Substances Data: 15181-11-0(Hazardous Substances Data)

Usage

Uses

3,5-Di-tert-butyltoluene was used in the synthesis of 3,5-di-tert-butyl(bromomethyl)benzene. It was also used in the synthesis of di-tert-butylbenzoic acid.

InChI:InChI=1/C15H24/c1-11-8-12(14(2,3)4)10-13(9-11)15(5,6)7/h8-10H,1-7H3

Upstream product

• 98-51-1 4-tert-butyltoluene 
• 507-20-0 tertiary butyl chloride 
• 108-88-3 toluene 
• 22385-77-9 1-bromo-3,5-di-tert-butylbenzene 
• 2524-03-0 dimethyl chlorothiophosphate 
• 141888-42-8 2,4-di-tert-butyl-6-methylphenyl-dichloroarsine 
• 1518-53-2 1,3-di-tert-butyl-2-methoxy-5-methylbenzene 
• 75-65-0 tert-butyl alcohol 
• 507-19-7 t-butyl bromide 
• 141888-47-3 2,4-ditert-butyl-6-methylphenylmagnesium bromide 
• 917-92-0 3,3-Dimethylbut-1-yne 
• 4873-09-0 allyl tosylate 
• 513-36-0 isobutyryl chloride 
• 107-39-1 2,4,4-trimethyl-1-pentene 

Downstream Products

• 17610-00-3 3,5-Di-tert-butylbenzaldehyde 
• 16358-71-7 2-bromo-1,5-di-tert-butyl-3-methyl-benzene 
• 153474-38-5 3,5-di-tert-butyl(dibromomethyl)benzene 
• 71-43-2 benzene 
• 62938-08-3 3,5-di-tert-butylbenzyl bromide 
• 90-47-1 xanth-9-one 
• 100045-13-4 xanthone ketyl radical 
• 142987-58-4 C₁₅H₂₃ 
• 21127-86-6 2-bromomethyl-3,5-di-tert-butyltoluene 
• 858859-67-3 2-(3,5-di-tert-butylphenyl)ethanol 
• 858859-68-4 toluene-4-sulfonic acid 2-(3,5-di-tert-butyl-phenyl)-ethyl ester 
• 858859-76-4 5-{4-[2-(3,5-di-tert-butyl-phenyl)-ethoxy]-phenyl}-[1,8]naphthyridin-2-ylamine 
• 858859-71-9 4-{4-[2-(3,5-di-tert-butyl-phenyl)-ethoxy]-phenyl}-N²-(4-methoxy-benzyl)-[1,8]naphthyridine-2,7-diamine 
• 858859-73-1 1-(7-amino-5-{4-[2-(3,5-di-tert-butyl-phenyl)-ethoxy]-phenyl}-[1,8]naphthyridin-2-yl)-3-butyl-urea 

Relevant articles and documents

Framework-Substituted Sn-MOR Zeolite Prepared by Multiple pH-Adjusting Сo-Hydrolysis As Efficient Catalyst for tert-Butylation of Toluene

Abstract: A series of Sn-MOR samples with different tin species loadings were prepared via a mutiple pH?adjusting co-hydrolysis method. Their properties were characterized by XRD, XRF, UV–Vis, FT-IR, Py-IR, N2 sorption and SEM techniques. The catalytic performance was evaluated in liquid-phase toluene alkylation with tert-butyl alcohol. The characterization results shows that compared to framework destruction of mordenite for the Sn/MOR sample with floccule prepared by ion exchange method, higher relative crystallinity and larger surface area and pore volume for Sn-MOR samples with walnut morphology can be obtained. The doping with tin species can increase the Lewis acidity and decrease the pore size resulting in both higher toluene conversion and p-tert-butyltoluene (PTBT) selectivity. The Sn-MOR(0.010) sample shows the highest catalytic performance with toluene conversion of 48.0% and PTBT selectivity of 85.6%. It?shows high stability: toluene conversion of 45.3% and PTBT selectivity of 87.2% can be obtained even after 5 consecutive runs.

Catalytic Asymmetric Hydroalkenylation of Vinylarenes: Electronic Effects of Substrates and Chiral N-Heterocyclic Carbene Ligands

An asymmetric tail-to-tail cross-hydroalkenylation of vinylarenes with terminal olefins was achieved by catalysis with NiH complexes bearing chiral N-heterocyclic carbenes (NHCs). The reaction provides branched gem-disubstituted olefins with high enantioselectivity (up to 94% ee) and chemoselectivity (cross/homo product ratio: up to 99:1). Electronic effects of the substituents on the vinylarenes and on the N-aryl groups of the NHC ligands, but not a π,π-stacking mechanism, assist the steric effect and influence the outcome of the cross-hydroalkenylation.

PROCESS FOR THE PREPARATION OF M-SUBSTITUTED ALKYLTOLUENES BY ISOMERIZATION WITH IONIC LIQUIDS AS CATALYSTS

The invention relates to a process for the preparation of m-substituted alkyltoluenes of the formula (I) in which R1 is C1-C5-alkyl, wherein a p-substituted alkyltoluene of the formula (II) in which R1 has the meaning given under formula (I), is isomerized in the presence of ionic liquids to give an m-substituted alkyltoluene of the formula (I). The m-substituted alkyltoluenes obtainable according to the invention are starting compounds for the preparation of fragrances and aroma substances.