1074-92-6

Basic information

• Product Name: 1-TERT-BUTYL-2-METHYLBENZENE
• Synonyms: 1-(1,1-dimethylethyl)-2-methylbenzene;1-Methyl-2-tert-butylbenzene;2-t-Butyltoluene;Benzene, 1-(1,1-dimethylethyl)-2-methyl-;benzene,1-(1,1-dimethylethyl)-2-methyl-;o-tert-Butyltoluene;Toluene, o-tert-butyl-;toluene,o-tert-butyl-
• CAS NO: 1074-92-6
• Molecular Formula: C₁₁H₁₆
• Molecular Weight: 148.24
• Mol File: 1074-92-6.mol
• Article Data: 13

Chemical Properties

• Melting Point: -50.32°C
• Boiling Point: 200°C
• Flash Point: 61.4°C
• Appearance: /
• Density: 0,89 g/cm3
• Vapor Pressure: 0.754mmHg at 25°C
• Refractive Index: 1.5075
• CAS DataBase Reference: 1-TERT-BUTYL-2-METHYLBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-TERT-BUTYL-2-METHYLBENZENE(1074-92-6)
• EPA Substance Registry System: 1-TERT-BUTYL-2-METHYLBENZENE(1074-92-6)

Safety Data

• Statements: 10
• Safety Statements: 16
• RIDADR: 1993
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 1074-92-6(Hazardous Substances Data)

Usage

General Description

1-Tert-Butyl-2-Methylbenzene, also known as 2-Methyl-4-(2-methylpropyl)benzene, is a chemical compound primarily consisting of hydrogen, carbon, and oxygen elements. As part of the family of alkylbenzenes, it is predominantly used in industrial processes such as creation of specialty chemicals, dyes, and polymers. It is typically presented in a liquid form at room temperature. Being a less common alkylbenzene, its derivatives are often used in research and development settings in synthetic chemistry. Details about its safety, environmental impact, or potential toxicity vary depending on volume, exposure, and specific usage, hence it is important to handle this chemical with appropriate containment and safeguards.

InChI:InChI=1/C11H16/c1-9-7-5-6-8-10(9)11(2,3)4/h5-8H,1-4H3

Upstream product

• 507-20-0 tertiary butyl chloride 
• 108-88-3 toluene 
• 75-65-0 tert-butyl alcohol 
• 7647-01-0 hydrogenchloride 
• 7446-70-0 aluminium trichloride 
• 115-11-7 isobutene 
• 107-39-1 2,4,4-trimethyl-1-pentene 
• 13630-19-8 2-methylbenzotrifluoride 
• 75-24-1 trimethylaluminum 
• 632326-71-7 (pyr)₂Ni(CH₂CMe₂-o-C₆H₄) 
• 74-88-4 methyl iodide 
• 95-46-5 2-methylphenyl bromide 
• 677-22-5 tert-butylmagnesium chloride 
• 507-19-7 t-butyl bromide 

Downstream Products

• 620-14-4 1-Methyl-3-ethylbenzene 
• 611-14-3 2-Ethyltoluene 
• 622-96-8 4-methylethylbenzene 
• 98-51-1 4-tert-butyltoluene 
• 1075-38-3 m-t-butyltoluene 
• 108-88-3 toluene 
• 14034-91-4 5-Amino-2-tert.-butyl-benzoesaeure 
• 14034-90-3 2-tert-butyl-5-nitrobenzoic acid 
• 1077-58-3 2-tert-butylbenzoic acid 
• 1005751-00-7 2-tert-butylbenzyl bromide 
• 88-99-3 benzene-1,2-dicarboxylic acid 

Relevant articles and documents

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Effect of produced HCl during the catalysis on micro- and mesoporous MOFs

This paper reports the influence of alkylation reaction byproducts, particularly HCl, on MOF-5. Reaction between tert-butyl chloride and toluene or biphenyl in the presence of MOF-5 as a catalyst generates an unusual structural transformation which was proved to be due to the formation of byproduct HCl by means of powder X-ray diffraction analysis. Despite this, the highly desirable catalytic performance in terms of high conversions (>99%) and selectivity (>98%) toward the less bulky para-oriented products is maintained.

Oxidative C-C bond formation reactivity of organometallic Ni(II), Ni(III), and Ni(IV) complexes

The use of the tridentate ligand 1,4,7-trimethyl-1,4,7-triazacyclononane (Me3tacn) and the cyclic alkyl/aryl C-donor ligand-CH2CMe2-o-C6H4-(cycloneophyl) allows for the synthesis of isolable organometallic NiII, NiIII, and NiIV complexes. Surprisingly, the fivecoordinate NiIII complex is stable both in solution and the solid state, and exhibits limited C-C bond formation reactivity. Oxidation by one electron of this NiIII species generates a six-coordinate NiIV complex, with an acetonitrile molecule bound to Ni. Interestingly, illumination of the NiIV complex with blue LEDs results in rapid formation of the cyclic C-C product at room temperature. This reactivity has important implications for the recently developed dual Ni/photoredox catalytic systems proposed to involve high-valent organometallic Ni intermediates. Additional reactivity studies show the corresponding NiII species undergoes oxidative addition with alkyl halides, as well as rapid oxidation by O2, to generate detectable NiIII and/or NiIV intermediates and followed by C-C bond formation.

Synthesis and catalytic reactivity of mononuclear substituted tetramethylcyclopentadienyl molybdenum carbonyl complexes

The reactions of five dinuclear carbonyl complexes [(η 5-C5Me4R)Mo(CO)3]2 [R = allyl, n Bu, t Bu, Ph, Bz] with I2 in chloroform solution gave the corresponding mononuclear substituted tetramethylcyclopentadienyl molybdenum carbonyl complexes [(η 5-C5Me4R)MoI(CO)3] [R = allyl (1), n Bu (2), t Bu (3), Ph (4), Bz (5)]. The molecular structures of complexes 2, 3 and 5 were determined by X-ray diffraction analysis. The results show that the substituent in the ring can directly affect the Mo-I bond distances; the more sterically hindered the substituent, the longer the Mo-I bond. Friedel-Crafts reactions of aromatic compounds with a variety of alkylation reagents catalyzed by the complexes showed that all of these mononuclear molybdenum carbonyl complexes have catalytic activity in Friedel-Crafts alkylation reactions. Indeed, compared with traditional catalysts, these mononuclear metal carbonyl complexes have obvious advantages such as higher activities, mild reaction conditions, high selectivity, simple post-processing, and environmentally friendly chemistry.

Activity investigation of imidazolium-based ionic liquid as catalyst for friedel-crafts alkylation of aromatic compounds

N-Methylimidazolium ionic liquids were synthesised from N-methylimidazole and 1-bromobutane by two-step method. The alkylation of benzene and other aromatic compounds through improved Friedel-Crafts reaction was investigated in these ionic liquids. The imidazolium-based ionic liquids showed both high activity and high selectivity for this reaction. In particular, remarkable enhancement of the catalytic effect of the imidazolium-based ionic liquids was observed for the ionic liquids containing the PF6- anion. The effects of various types of anions, ionic liquid dosage, reaction temperature and molar ratio of aromatic compound to 1-bromobutane/tertbutyl alcohol were explored using [Bmim]PF6 or its mixture with AlCl3 as catalyst. The synthesis yielded improved results over those obtained using either neat AlCl3 or other imidazolium-based ionic liquids as catalyst. The ionic liquids can also be recycled and reused in contrast to traditional solvent-catalyst systems.