6781-42-6

Basic information

• Product Name: 1,3-DIACETYLBENZENE
• Synonyms: Ethanone, 1,1'-(1,3-phenylene)bis-;1,3-DIACETYLBENZENE;M-DIACETYLBENZENE;M-ACETYL ACETOPHENONE;benzene-1,3-bis(acetyl);1,3-Diacetylbenzene,97%;1,1'-m-Phenylenebisethanone;1,3-Diacetylbenzene,99%
• CAS NO: 6781-42-6
• Molecular Formula: C₁₀H₁₀O₂
• Molecular Weight: 162.19
• EINECS: 229-842-9
• Product Categories: Aromatic Ketones (substituted);C10;Carbonyl Compounds;Ketones;Furans ,Coumarins
• Mol File: 6781-42-6.mol
• Article Data: 26

Chemical Properties

• Melting Point: 28-32 °C(lit.)
• Boiling Point: 150-155 °C15 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: Clear slightly yellow/Liquid After Melting
• Density: 1.0613 (rough estimate)
• Vapor Pressure: 0.00382mmHg at 25°C
• Refractive Index: 1.5485-1.5505
• Storage Temp.: 2-8°C
• Solubility: Soluble in ethanol, benzene, chloroform.
• BRN: 2042511
• CAS DataBase Reference: 1,3-DIACETYLBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-DIACETYLBENZENE(6781-42-6)
• EPA Substance Registry System: 1,3-DIACETYLBENZENE(6781-42-6)

Safety Data

• Safety Statements: 22-24/25
• WGK Germany: 3
• Hazardous Substances Data: 6781-42-6(Hazardous Substances Data)

Usage

Uses

1,3-Diacetylbenzene was used in the preparation of polyhydroxylated analogs. It is an important raw material and intermediates in organic synthesis.

General Description

1,3-Diacetylbenzene is an δ-diketone. It induces neuropathological changes in the rodent central and peripheral nervous systems.

InChI:InChI=1/C10H10O2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h3-6H,1-2H3

Upstream product

• 1713-16-2 1,3-bis-chloroacetyl-benzene 
• 67-56-1 methanol 
• 3748-13-8 1,3-bis(1-methylethenyl)-benzene 
• 60-35-5 acetamide 
• 98-86-2 acetophenone 
• 99-03-6 1-(3-aminophenyl)ethanone 
• 431-03-8 dimethylglyoxal 
• 108-57-6 1,3-divinylbenzene 
• 75-16-1 methylmagnesium bromide 
• 1785-61-1 1,3-diethynylbenzene 
• 626-19-7 Isophthalaldehyde 
• 860517-17-5 2',3',2'',3''-tetrabromo-m-phenylene-di-propionate dimethyl ester 
• 4843-46-3 3,3′-(1,3-phenylene)dipropiolic acid 
• 23746-59-0 (E)-3-[3-((E)-2-methoxycarbonyl-vinyl)-phenyl]-acrylic acid methyl ester 

Downstream Products

• 113786-94-0 1,3-bis<1-hydroxy-1-(pyridin-2-yl)ethyl>benzene 
• 56270-10-1 1.4-Bis-(4-nitro-cinnamoyl)-benzol 
• 129005-69-2 (Z)-3-(4-Ethoxy-phenyl)-1-{3-[(Z)-3-(4-ethoxy-phenyl)-acryloyl]-phenyl}-propenone 
• 161011-39-8 1,3-Diacetylbenzene bis(phenylhydrazone) 
• 1020400-10-5 C₂₈H₂₂Br₄O₆ 
• 1020400-09-2 C₂₈H₂₄Br₂O₆ 
• 143329-81-1 α,α'-dimethyl-1,3-benzenedimethanol 
• 6781-44-8 (R,R)-α,α'-dimethyl-1,3-benzenedimethanol 
• 143329-81-1 α,α'-dimethyl-1,3-benzenedimethanol 

Relevant articles and documents

Photoinduced Acetylation of Anilines under Aqueous and Catalyst-Free Conditions

A green and efficient visible-light induced functionalization of anilines under mild conditions has been reported. Utilizing nontoxic, cost-effective, and water-soluble diacetyl as photosensitizer and acetylating reagent, and water as the solvent, a variety of anilines were converted into the corresponding aryl ketones, iodides, and bromides. With advantages of environmentally friendly conditions, simple operation, broad substrate scope, and functional group tolerance, this reaction represents a valuable method in organic synthesis.

Preparation method 1,3 - diacyl benzene

The preparation method of 1-3 - diacyl benzene comprises the following steps: reacting m-phthalic aldehyde with an alkyl magnesium halide to form an intermediate as shown II. The intermediate shown in Formula II is subjected to an oxidation reaction under the action of an oxidant to generate III, 1 diacyl benzene as shown 3 . In-flight R1 . R2 Alkyl groups from the alkyl magnesium halides, respectively. The method has the advantages of simple process, safety, environmental protection, high target product yield, high purity and the like, and can realize large-scale industrial production.

Compartmentalized Nanoreactors for One-Pot Redox-Driven Transformations

This contribution introduces poly(2-oxazoline)-based shell cross-linked micelles (SCMs) as nanoreactors to realize one-pot redox-driven deracemizations of secondary alcohols in aqueous media. TEMPO and Rh-TsDPEN moieties are spatially positioned into the hydrophilic corona and the hydrophobic micelle core, respectively. TEMPO catalyzes the oxidation of racemic secondary alcohols into ketones, while Rh-TsDPEN catalyzes the asymmetric transfer hydrogenation (ATH) of these ketones to afford enantioenriched secondary alcohols. Both catalysts, the Rh-TsDPEN complex and TEMPO, are incompatible with each other and the SCMs are designed to provide indispensable catalyst site isolation. Kinetic studies show that the SCMs enhance the reactivity of the immobilized catalysts, in comparison to those for the unsupported analogues under the same reaction conditions. Our nanoreactors can perform deracemizations on a broad range of secondary alcohol substrates and are reusable in a continuous manner while maintaining high activity.