7397-06-0

Basic information

• Product Name: 4-TERT-BUTYL-O-XYLENE
• Synonyms: 1,2-dimethyl-4-(tert-butyl)-benzene;1,2-Dimethyl-4-tert-Butylbenzene;1-tert-Butyl-3,4-dimethylbenzene;3,4-Dimethyl-tert-butylbenzene;4-(1,1-dimethylethyl)-1,2-dimethyl-benzen;Benzene, 1,2-dimethyl-4-(1,1-dimethylethyl);Benzene, 4-(1,1-dimethylethyl)-1,2-dimethyl-;o-Xylene, 4-tert-butyl-
• CAS NO: 7397-06-0
• Molecular Formula: C₁₂H₁₈
• Molecular Weight: 162.27
• EINECS: -0
• Product Categories: Industrial/Fine Chemicals;Arenes;Building Blocks;Organic Building Blocks
• Mol File: 7397-06-0.mol
• Article Data: 17

Chemical Properties

• Melting Point: -25.43°C (estimate)
• Boiling Point: 200-210 °C(lit.)
• Flash Point: 180 °F
• Appearance: clear colorless liquid
• Density: 0.871 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.207mmHg at 25°C
• Refractive Index: n20/D 1.498(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• BRN: 1925371
• CAS DataBase Reference: 4-TERT-BUTYL-O-XYLENE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-TERT-BUTYL-O-XYLENE(7397-06-0)
• EPA Substance Registry System: 4-TERT-BUTYL-O-XYLENE(7397-06-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• TSCA: Yes
• Hazardous Substances Data: 7397-06-0(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless liquid

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

Upstream product

• 95-47-6 o-xylene 
• 115-11-7 isobutene 
• 75-65-0 tert-butyl alcohol 
• 22385-96-2 5,5'-di-tert-butyl-2,2'-dihydroxybiphenyl 
• 507-20-0 tertiary butyl chloride 
• 7705-08-0 iron(III) chloride 
• 7637-07-2 boron trifluoride 
• 107-39-1 2,4,4-trimethyl-1-pentene 
• 960289-78-5 7-tert-butyl-1-ethyl-3-methylpyrene 
• 960289-80-9 7-tert-butyl-1-methyl-3-propylpyrene 
• 558-17-8 tert-Butyl iodide 
• 98-51-1 4-tert-butyltoluene 
• 507-19-7 t-butyl bromide 
• 17207-22-6 2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethyl acetate 

Downstream Products

• 108837-99-6 5-tert-butyl-1-isopropyl-2,3-dimethyl-benzene 
• 100325-69-7 5-tert-butyl-1-cyclopentyl-2,3-dimethyl-benzene 
• 28162-13-2 5-tert-butyl-2,3-dimethylbenzyl chloride 
• 33691-85-9 4-(tert-butyl)-2-methylbenzoic acid 
• 14236-13-6 4-(tert-butyl)phthalic acid 
• 32703-80-3 4-(t-butyl)phthalonitrile 
• 101203-31-0 3,3'-di-tert-butyl-5,5',6,6'-tetramethylbiphenyl-2,2'-diol 
• 1448009-71-9 4-(tert-butyl)-6-(trifluoromethyl)phthalonitrile 
• 1448009-70-8 5-tert-butyl-3-(trifluoromethyl)phthalamide 
• 1448009-68-4 5-tert-butyl-3-(trifluoromethyl)phthalic acid 
• 1448009-67-3 5-tert-butyl-3-(trifluoromethyl)-o-xylene 
• 952654-05-6 ((4-(tert-butyl)-1,2-phenylene)bis(methylene))bis(di-tert-butylphosphine) 
• 576-23-8 2,3-dimethylbromobenzene 
• 65276-12-2 5,5'-Di-tert.-butyl-2,2',3,3'-tetramethyl-diphenylethan 

Relevant articles and documents

Preparation method of 4 -tert-butyl phthalonitrile (by machine translation)

The invention discloses a preparation method of 4 -tert-butylphthalonitrile, and belongs to the technical field of organic synthesis. To the technical scheme, o-xylene and chlorobutane are reacted under the action of catalyst iodine to obtain 4 -tert-butylphthalyl chloride; 4 -tert-butyl phthalic acid is reacted with ammonia solution to obtain 4 -tert-butylphthalamide; 4 -tert-butylphthalamide and dehydrating agent are subjected to dehydration reaction to obtain 4 - 4 - 4 -tert-butylphthalonitrile; and the tert-butylphthalonitrile is obtained through dehydration 4 - 4 . The method has the advantages of mild reaction conditions, high yield, low cost and suitability for industrial production, and is a synthetic method with industrial production value. (by machine translation)

The synthetic potential of graphite-catalyzed alkylation

Unmodified graphite is introduced as a mild catalyst for alkylation of aromatic compounds and primary alcohols, applicable when utilization of strong Lewis acids is not feasible. The electrophilic intermediate has a significant carbocationic character and can be formed on a partially rate-limiting step.

Alkylation on graphite in the absence of Lewis acids

Graphite is introduced as a convenient catalyst for alkylation of aromatic compounds and alcohols by benzyl, tertiary alkyl, and secondary alkyl halides in the absence of strong Lewis acids. Primary alkyl halides are not active under the reaction conditions.