30314-46-6

Basic information

• Product Name: α,α-Dimethyl-3',4'-dimethoxypropiophenone
• Synonyms: 3',4'-Dimethoxy-α,α-dimethylpropiophenone;α,α-Dimethyl-3',4'-dimethoxypropiophenone;1-(3,4-dimethoxyphenyl)-2,2-dimethylpropan-1-one
• CAS NO: 30314-46-6
• Molecular Formula: C₁₃H₁₈O₃
• Molecular Weight: 222.28022
• Mol File: 30314-46-6.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 314.8°Cat760mmHg
• Flash Point: 135.2°C
• Appearance: /
• Density: 1.017g/cm³
• Vapor Pressure: 0.000455mmHg at 25°C
• Refractive Index: 1.492
• CAS DataBase Reference: α,α-Dimethyl-3',4'-dimethoxypropiophenone(CAS DataBase Reference)
• NIST Chemistry Reference: α,α-Dimethyl-3',4'-dimethoxypropiophenone(30314-46-6)
• EPA Substance Registry System: α,α-Dimethyl-3',4'-dimethoxypropiophenone(30314-46-6)

Safety Data

• Hazardous Substances Data: 30314-46-6(Hazardous Substances Data)

Usage

Preparation

Obtained by reaction of pivalic anhydride with veratrole in acetonitrile in the presence of TiCl(OTf)3 /TfOH at r.t. for 12 h (66%).

InChI:InChI=1/C13H18O3/c1-13(2,3)12(14)9-6-7-10(15-4)11(8-9)16-5/h6-8H,1-5H3

Upstream product

• 2024-83-1 veratronitrile 
• 677-22-5 tert-butylmagnesium chloride 
• 14046-55-0 isobutyryl-3,4-dimethoxybenzene 
• 74-88-4 methyl iodide 
• 91-16-7 1,2-dimethoxybenzene 
• 1538-75-6 2,2-dimethylpropanoic anhydride 
• 213267-13-1 1-(3,4-dimethoxyphenyl)-2,2-dimethylpropan-1-ol 
• 3282-30-2 pivaloyl chloride 

Downstream Products

• 31006-87-8 3-(3,4-Dimethoxy-phenyl)-3-hydroxy-4,4-dimethyl-pentanoic acid ethyl ester 
• 72017-59-5 1-(3,4-dihydroxyphenyl)-2,2-dimethyl-1-propanone 
• 31006-95-8 C₁₅H₂₀O₄ 
• 213267-13-1 1-(3,4-dimethoxyphenyl)-2,2-dimethylpropan-1-ol 
• 1372854-38-0 (R/S)-1-(4,5-dimethoxy-2-nitrophenyl)-2,2-dimethyl-1-propanol 

Relevant articles and documents

FLUORINE-CONTAINING COMPOUND, SUBSTRATE FOR PATTERN FORMATION, PHOTODEGRADABLE COUPLING AGENT, PATTERN FORMATION METHOD, AND COMPOUND

A compound represented by formula (e): where R1 represents a branched chain or cyclic alkyl group having 3 to 10 carbon atoms, and Rf1 and Rf2 represent fluorinated alkoxy groups.

Friedel-Crafts acylation using bismuth triflate in [BMI][PF6]

Bismuth trifluoromethanesulfonate was found to be a good catalyst for the Friedel-Crafts acylation. Bismuth triflate immobilized in an ionic liquid was the most efficient catalytic system. Bismuth triflate in [BMI][PF6] catalyzes this reaction under microwave irradiation allowing the rapid synthesis of aryl ketones in excellent yields. The catalyst system was easily recovered and reused several times.

Promoting laccase activity towards non-phenolic substrates: A mechanistic investigation with some laccase-mediator systems

The oxidation of benzyl alcohols with the enzyme laccase, under mediation by appropriate mediator compounds, yields carbonylic products, whereas laccase can not oxidise these non-phenolic substrates directly. The oxidation step is performed by the oxidised form of the mediator (Medox), generated on its interaction with laccase. The Medox can follow either an electron transfer (ET) or a radical hydrogen atom transfer (HAT) route of oxidation of the substrates. Experimental evidence is reported that enables unambiguous assessment of the occurrence of either one the oxidation routes with each of the investigated mediators, namely, ABTS, HBT, HPI and VLA. Support to the conclusions is provided by (i) investigating the intermolecular selectivity of oxidation with appropriate substrates, (ii) attempting Hammett correlations for the oxidation of a series of 4-X-substituted benzyl alcohols, (iii) measuring the kinetic isotope effect, (iv) investigating the product pattern with suitable probe precursors. Based on these points, a HAT mechanism results to be followed by the laccase-HBT, laccase-HPI and laccase-VLA systems, whereas an ET route appears feasible in the case of the laccase-ABTS system.