779-90-8

Basic information

• Product Name: 1,3,5-TRIACETYLBENZENE
• Synonyms: 1-(3,5-DIACETYLPHENYL)ETHANONE;1,3,5-TRIACETYLBENZENE;1,1',1''-(1,3,5-Benzenetriyl)triethanone;1,1',1''-(Benzene-1,3,5-triyl)trisethanone;1,3,5-Triacetylbenzene,98%;1,1',1''-Benzene-1,3,5-triyltriethanone;1,1',1''-(benzene-1,3,5-triyl)tris(ethan-1-one)
• CAS NO: 779-90-8
• Molecular Formula: C₁₂H₁₂O₃
• Molecular Weight: 204.22
• EINECS: 212-302-1
• Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives
• Mol File: 779-90-8.mol
• Article Data: 32

Chemical Properties

• Melting Point: 160-162°C
• Boiling Point: 302.71°C (rough estimate)
• Flash Point: 158.7 °C
• Appearance: White crystalline powder
• Density: 1.1554 (rough estimate)
• Vapor Pressure: 1.36E-05mmHg at 25°C
• Refractive Index: 1.5205 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility: Practically insoluble in water
• CAS DataBase Reference: 1,3,5-TRIACETYLBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,5-TRIACETYLBENZENE(779-90-8)
• EPA Substance Registry System: 1,3,5-TRIACETYLBENZENE(779-90-8)

Safety Data

• Hazard Codes: Xi:Irritant
• Statements: R36/37:Irritating to eyes and respiratory system.
• Safety Statements: 24/25
• Hazardous Substances Data: 779-90-8(Hazardous Substances Data)

Usage

Chemical Properties

LIGHT CREAM TO BEIGE CRYSTALLINE POWDER

InChI:InChI=1/C12H12O3/c1-7(13)10-4-11(8(2)14)6-12(5-10)9(3)15/h4-6H,1-3H3

Upstream product

• 5744-65-0 1,1,3,3-tetramethoxy-butane 
• 5436-21-5 acetylacetaldehyde dimethyl acetal 
• 69190-65-4 1,1,3-triethoxy-but-2-ene 
• 20082-91-1 4,4-diethoxybutan-2-one 
• 64-19-7 acetic acid 
• 4540-33-4 piperdinium acetate 
• 1423-60-5 methyl ethynyl ketone 
• 67-64-1 acetone 
• 109-94-4 formic acid ethyl ester 
• 7119-27-9 4-chloro-3-buten-2-one 
• 60-29-7 diethyl ether 
• 7647-01-0 hydrogenchloride 
• 4652-27-1 4-methoxy-3-buten-2-one 
• 7664-93-9 sulfuric acid 

Downstream Products

• 19576-38-6 1,3,5-tri(2-hydroxyisopropyl)benzene 
• 74128-94-2 N,N,N',N',N,N-Hexamethyl-1,3,5-benzoltri(2-oxoessigsaeurethioamid) 
• 554-95-0 benzene-1,3,5-tricarboxylic acid 
• 723342-96-9 (2E,2'E,2''E)-1,1',1''-(benzene-1,3,5-triyl)tris(3-phenylprop-2-en-1-one) 
• 111443-89-1 α,α',α''-trimethyl-1,3,5-benzenetrimethanol triacetate 
• 143329-95-7 (R,R,S)-α,α',α''-trimethyl-1,3,5-benzenetrimethanol monoacetate 
• 143329-94-6 (R,S,S)-α,α',α''-trimethyl-1,3,5-benzenetrimethanol diacetate 
• 37394-26-6 (R,S,S)-α,α',α''-trimethyl-1,3,5-benzenetrimethanol 
• 37394-26-6 (R,R,S)-α,α',α''-trimethyl-1,3,5-benzenetrimethanol 
• 37394-26-6 (R,R,R)-α,α',α''-trimethyl-1,3,5-benzenetrimethanol 
• 65382-85-6 N-(1-{3,5-bis[1-(hydroxyimino)ethyl]phenyl}ethylidene)hydroxylamine 

Relevant articles and documents

Iron-catalyzed trimerization of terminal alkynes enabled by pyrimidinediimine ligands: A regioselective method for the synthesis of 1,3,5-substituted arenes

The development of pyrimidine-based analogues of the well-known pyridinediimine (PDI) iron complexes enables access to a functional-group-tolerant methodology for the catalytic trimerization of terminal aliphatic alkynes. Remarkably, in contrast to established alkyne trimerization protocols, the 1,3,5-substituted arenes are the main reaction products. Preliminary mechanistic investigations suggest that the enhanced π-acidity of the pyrimidine ring, combined with the hemilability of the imine groups coordinated to the iron center, facilitates this transformation. The entry point in the catalytic cycle is an isolable iron dinitrogen complex. The catalytic reaction proceeds via a 1,3-substituted metallacycle, which explains the observed 1,3,5-regioselectivity. Such a metallacycle could be isolated and represents a rare 1,3-substituted ferracycle obtained through alkyne cycloaddition.

Efficient Palladium(0) supported on reduced graphene oxide for selective oxidation of olefins using graphene oxide as a ‘solid weak acid’

Selective oxidation of olefin derivatives to ketones has made innovative development over palladium(0) supported on reduced graphene oxide. Compared to traditional Wacker oxidation, the novel method offers an economical and environment-friendly option by using graphene oxide (GO) as a ‘solid weak acid’ instead of classical homogeneous catalysts like H2SO4 and CF3COOH. X-ray diffraction, X-ray photoelectron spectroscopy, scanning electron microscope and transmission electron microscopy images of Pd0/RGO showed that the nanoscaled Pd particles generated at the flake structure of reduced graphene oxide. Under optimized condition, up to 44 kinds of ketones with different structures can be prepared with excellent yields.