884504-20-5

Basic information

• Product Name: 3,4-DIMETHYLBENZOYLACETONITRILE
• Synonyms: 3,4-DIMETHYLBENZOYLACETONITRILE
• CAS NO: 884504-20-5
• Molecular Formula: C₁₁H₁₁NO
• Molecular Weight: 173.21
• Mol File: 884504-20-5.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 344.3°C at 760 mmHg
• Flash Point: 162°C
• Appearance: /
• Density: 1.06g/cm³
• Vapor Pressure: 6.66E-05mmHg at 25°C
• Refractive Index: 1.53
• CAS DataBase Reference: 3,4-DIMETHYLBENZOYLACETONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-DIMETHYLBENZOYLACETONITRILE(884504-20-5)
• EPA Substance Registry System: 3,4-DIMETHYLBENZOYLACETONITRILE(884504-20-5)

Safety Data

• Hazardous Substances Data: 884504-20-5(Hazardous Substances Data)

Usage

General Description

3,4-Dimethylbenzoylacetonnitrile is a chemical compound with the molecular formula C11H11NO. It is commonly used as a building block in the synthesis of various pharmaceuticals and agrochemicals due to its versatile reactivity. 3,4-DIMETHYLBENZOYLACETONITRILE is a yellowish liquid with a characteristic odor and is insoluble in water but soluble in organic solvents. It is primarily utilized as a reagent in organic synthesis, particularly in the formation of carbon-carbon bonds and in the preparation of heterocyclic compounds. Additionally, 3,4-Dimethylbenzoylacetonnitrile is also employed in the production of dyes, pigments, and other specialty chemicals. Its versatile reactivity and diverse applications make it a valuable compound in the chemical industry.

InChI:InChI=1/C11H11NO/c1-8-3-4-10(7-9(8)2)11(13)5-6-12/h3-4,7H,5H2,1-2H3

Upstream product

• 18293-53-3 2-trimethylsilylacetonitrile 
• 31599-61-8 3,4-dimethyliodobenzene 
• 13939-06-5 molybdenum hexacarbonyl 
• 13138-21-1 diazoacetonitrile 
• 5973-71-7 3,4-dimethylbenzaldehyde 
• 38404-42-1 methyl 3,4-dimethylbenzoate 
• 75-05-8 acetonitrile 
• 201230-82-2 carbon monoxide 

Downstream Products

• 1556864-79-9 3-(3,4-dimethylphenyl)-6,7-dimethyl-5,8-dinitro-2-naphthonitrile 
• 1556864-68-6 5,8-dibromo-3-(3,4-dimethylphenyl)-2-naphthonitrile 
• 1556864-60-8 3-(3,4-dimethylphenyl)-6,7-dimethyl-2-naphthonitrile 
• 1556864-49-3 3-(4-bromophenyl)-2-naphthonitrile-3-(3,4-dimethylphenyl)-2-naphthonitrile 

Relevant articles and documents

Asymmetric Hydroacylation Involving Alkene Isomerization for the Construction of C3-Chirogenic Center

A new transformation pattern for enantioselective intramolecular hydroacylation has been developed involving an alkene isomerization strategy. Proceeding through a five-membered rhodacycle intermediate, 3-enals were converted to C3- or C3,C5-chirogenic cyclopentanones with satisfactory yields, diastereoselectivities, and enantioselectivities. A catalytic cycle has been theoretically calculated and the origin of the stereoselection is rationally explained.

Palladium-catalyzed carbonylation with Mo(CO)for the synthesis of benzoylacetonitriles

Benzoylacetonitriles were synthesized by the palladium-catalyzed carbonylation of aryl iodides and trimethylsilylacetonitrile using Mo(CO)as a carbon monoxide source. Pd(PPhCland CuFwere employed as the catalyst and activator, respectively. A variety of aryl iodides bearing alkyl, alkoxy, fluoro, chloro, bromo, nitrile, ester, and ketone groups afforded the corresponding benzoylacetonitriles in moderate to good yields. Georg Thieme Verlag Stuttgart ? New York.