1-TERT-BUTYL-2-METHYLBENZENE

Base Information

• Chemical Name: 1-TERT-BUTYL-2-METHYLBENZENE
• CAS No.: 1074-92-6
• Molecular Formula: C11H16
• Molecular Weight: 148.248
• Hs Code.: 2902909090
• Mol file: 1074-92-6.mol

Synonyms:Toluene,o-tert-butyl- (6CI,7CI,8CI); 1-(1,1-Dimethylethyl)-2-methylbenzene;1-tert-Butyl-2-methylbenzene; 2-Methyl-tert-butylbenzene; NSC 23694;o-Methyl-tert-butylbenzene; o-tert-Butyltoluene

Chemical Property of 1-TERT-BUTYL-2-METHYLBENZENE

Chemical Property:

• Vapor Pressure: 0.754mmHg at 25°C
• Melting Point: -50.32°C
• Refractive Index: 1.5075
• Boiling Point: 190.3°Cat760mmHg
• Flash Point: 61.4°C
• PSA: 0.00000
• Density: 0.859g/cm³
• LogP: 3.29250

Purity/Quality:

97% ^*data from raw suppliers

1-tert-Butyl-2-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:
• Hazard Codes: R10:
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• General Description: 1-TERT-BUTYL-2-METHYLBENZENE (also known as o-tert-butyltoluene) is involved in alkylation reactions catalyzed by MOF-5, where it reacts with tert-butyl chloride to produce para-oriented products with high conversion (>99%) and selectivity (>98%). Despite the formation of HCl as a byproduct, which induces structural changes in the MOF catalyst, the reaction maintains excellent regioselectivity and performance. This highlights the compound's role in acid-catalyzed transformations with shape-selective properties. (Returned based on the second abstract, as the first did not directly reference the compound.)

Technology Process of 1-TERT-BUTYL-2-METHYLBENZENE

There total 12 articles about 1-TERT-BUTYL-2-METHYLBENZENE 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: 91.0%

toluene (108-88-3,15644-74-3,16713-13-6) + tert-butyl alcohol (75-65-0) → 4-tert-butyltoluene (98-51-1) + 1-tert-butyl-2-methyl-benzene (1074-92-6)

Guidance literature:

With indium(III) triflate; 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide; at 120 ℃; for 1.5h; Overall yield = 55 %; Microwave irradiation; Green chemistry;

DOI:10.1139/cjc-2013-0290

Reference yield: 32.0%

(1,4,7-trimethyl-1,4,7-triazacyclononane)NiII(CH2CMe2-o-C6H4) + methyl iodide (74-88-4) → 3-(2-Tolyl)-2-methyl-butan (4167-64-0) + 1-tert-butyl-2-methyl-benzene (1074-92-6) + C22H30

Guidance literature:

In [D₃]acetonitrile; at 20 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.6b10303

Reference yield: 14.0%

2-methylbenzotrifluoride (13630-19-8) + trimethylaluminum (75-24-1) → 1-methyl-2-(prop-1-en-2-yl)benzene (7399-49-7) + 1-tert-butyl-2-methyl-benzene (1074-92-6)

Guidance literature:

In hexane; 1,2-dichloro-ethane;

DOI:10.1039/b915620h

upstream raw materials:

tertiary butyl chloride

2-methylphenyl bromide

toluene

tert-butyl alcohol

Downstream raw materials:

1-Methyl-3-ethylbenzene

2-Ethyltoluene

4-methylethylbenzene

4-tert-butyltoluene

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