84-47-9

Basic information

• Product Name: 2-tert-Butylanthraquinone
• Synonyms: 2-(1,1-dimethylethyl)-10-anthracenedione;2-tert-Butyl-9,10-anthraquinone;2-tert-Butylanthra-9,10-quinone;9,10-Anthracenedione, 2-(1,1-dimethylethyl)-;beta-tert-Butylanthraquinone;LABOTEST-BB LT00159624;2-T-BUTYLANTHRAQUINONE;2-TERT-BUTYLANTHRAQUINONE
• CAS NO: 84-47-9
• Molecular Formula: C₁₈H₁₆O₂
• Molecular Weight: 264.32
• EINECS: 201-531-2
• Product Categories: Anthraquinones;Chloroanthraquine, etc.;Photoluminescent Materials > Light-Emitting Dopants and Fluorescent DyesPolymerization Initiators;Miscellaneous;Organic Photoinitiators;Photonic and Optical Materials
• Mol File: 84-47-9.mol
• Article Data: 18

Chemical Properties

• Melting Point: 98-100 °C(lit.)
• Boiling Point: 367.55°C (rough estimate)
• Flash Point: 157.5 °C
• Appearance: yellow crystalline powder
• Density: 1.0897 (rough estimate)
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.5200 (estimate)
• Solubility: almost transparency in hot Methanol
• CAS DataBase Reference: 2-tert-Butylanthraquinone(CAS DataBase Reference)
• NIST Chemistry Reference: 2-tert-Butylanthraquinone(84-47-9)
• EPA Substance Registry System: 2-tert-Butylanthraquinone(84-47-9)

Safety Data

• Statements: 36/37/38
• Safety Statements: 24/25
• RIDADR: 3077
• WGK Germany: 3
• RTECS: CB0487500
• TSCA: Yes
• HazardClass: 9
• PackingGroup: III
• Hazardous Substances Data: 84-47-9(Hazardous Substances Data)

Usage

Chemical Properties

yellow crystalline powder

Uses

2-tert-Butylanthraquinone is used in application of 2-substituted anthraquinone derivatives for the preparation of pharmaceuticals for the treatment of Candida albicans infection.

InChI:InChI=1/C18H16O2/c1-18(2,3)14-10-6-9-13-15(14)17(20)12-8-5-4-7-11(12)16(13)19/h4-10H,1-3H3

Upstream product

• 31592-27-5 5-t-Butyl-2-benzoylbenzoesaeure 
• 18801-00-8 2-(t-butyl)anthracene 
• 16430-37-8 10-hydroxy-3,10-di-t-butylanthrone 
• 146-81-6 2-( 4'-tert-butylbenzoyl)benzoic acid 
• 108-90-7 chlorobenzene 
• 917-92-0 3,3-Dimethylbut-1-yne 
• 54160-73-5 1,1'-(1,2-phenylene)bis(prop-2-yn-1-one) 
• 4923-66-4 1,2,3,4-tetrahydro-9,10-anthraquinone 
• 62262-26-4 2-methyl-5-tert-butyldiphenylmethane 
• 18798-81-7 2-tert-Butyl-1,2-dihydro-anthraquinone 
• 84-65-1 9,10-phenanthrenequinone 
• 78-76-2 s-butyl bromide 
• 507-19-7 t-butyl bromide 
• 87120-45-4 2-tert-butyl-anthrone 

Downstream Products

• 18800-99-2 2,6-di-tert-butylanthracene-9,10(4aH,9aH)-dione 
• 869850-20-4 9,10-bis(4-bromophenyl)-2-tert-butyl-9,10-dihydroxy-9,10-dihydroanthracene 
• 887951-17-9 2-tert-butyl-9,10-bis(4-bromophenyl)anthracene 
• 1232773-89-5 2-tert-butyl-9,10-bis(methyldihydroxylsilyl)anthracene 

Relevant articles and documents

Comparison of spin density calculation methods for various alkyl-substituted 9,10-anthraquinone anion radicals in the solution phase

EPR and ENDOR spectra were recorded for 2-methyl-9,10-anthraquinone (2-methylAQ), 2-ethylAQ, 2-tertbutylAQ and 2,3-dimethylAQ anion radicals in the solution phase. The EPR spectra were simulated with the help of ENDOR data. The experimental isotropic hyperfine coupling constants (IHFCs) were compared with calculated values from semi-empirical INDO, spin-restricted AM1/CI and B3PW91 density-functional methods. The best computational methods for the IHFCs were the semi-empirical AM1/CI method and the B3PW91 density-functional method with a large basis set.

Preparation method of anthraquinone and alkyl derivatives thereof

The invention relates to the field of organic matter preparation, and discloses a preparation method of anthraquinone and alkyl derivatives thereof, and the method comprises the following steps: underacidic conditions, carrying out contact reaction on anthracene and alkyl derivatives thereof, an oxidant and a catalyst. The anthraquinone and the alkyl derivative thereof have a structure as shown in a formula (I) which is described in the specification. The catalyst comprises a carrier and metal elements loaded on the carrier, wherein the metal elements comprise molybdenum and tungsten, in theformula (I), R1 and R2 are each independently selected from hydrogen and substituted or unsubstituted C1-C10 hydrocarbon groups. The method provided by the invention has the characteristics of mild operation conditions and high product yield.

Method for preparing 2-alkyl anthraquinone by taking solid super acids as catalysts

The invention provides a method for preparing 2-alkyl anthraquinone by taking solid super acids as catalysts. The 2-alkyl anthraquinone (alkyl is straight or branched alkyl with the number of carbon atoms of 1-6) is obtained by adopting the solid super acids like perfluorinated sulfonic acid resin and heteropoly acid as the catalysts, taking 2-(4'-alkyl benzoyl) benzoic acid as a raw material andperforming acylated dewatering closed loop through Friedel-Crafts reaction. The method provided by the invention is characterized in that traditional smoking sulfuric acid catalysts are replaced by the solid super acids, so that the environment is friendly, and no waste acid is discharged; the operation process is simple, and the solid catalysts are easy to recover; therefore, the method is a green pollution-free new process.