791064-82-9

Basic information

• Product Name: 1,3-Hexanedione, 1-(4-methoxyphenyl)-
• CAS NO: 791064-82-9
• Molecular Formula: C13H16O3
• Molecular Weight: 220.268
• Mol File: 791064-82-9.mol

Chemical Properties

• CAS DataBase Reference: 1,3-Hexanedione, 1-(4-methoxyphenyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Hexanedione, 1-(4-methoxyphenyl)-(791064-82-9)
• EPA Substance Registry System: 1,3-Hexanedione, 1-(4-methoxyphenyl)-(791064-82-9)

Safety Data

• Hazardous Substances Data: 791064-82-9(Hazardous Substances Data)

Upstream product

• 105-54-4 butanoic acid ethyl ester 
• 100-06-1 1-(4-methoxyphenyl)ethanone 
• 623-42-7 butanoic acid methyl ester 

Downstream Products

• 376637-52-4 1-(4-methoxyphenyl)heptane-1,4-dione 

Relevant articles and documents

Formation of functionalized 2H-azirines through phio-mediated trifluoroethoxylation and azirination of enamines

A variety of enaminones and enamine carboxylic esters were converted to trifluoroethoxylated 2H-azirines through reactions with PhIO in trifluoroethanol (TFE). The cascade reaction is postulated to proceed via a PhIO-mediated oxidative trifluoroethoxylation and a subsequent azirination of the α-trifluoroethoxylated enamine intermediates.

Synthesis and biological evaluation of 3-alkyl-1,5-diaryl-1H-pyrazoles as rigid analogues of combretastatin A-4 with potent antiproliferative activity

A series of novel 3-alkyl-1,5-diaryl-1H-pyrazoles were synthesized as combretastatin A-4 (CA-4) analogues and evaluated for antiproliferative activity against three human cancer cell lines (SGC-7901, A549 and HT-1080). Most of the target compounds displayed moderate to potent antiproliferative activity, and 7k was found to be the most potent compound. Structure-activity relationships indicated that compounds with a trimethoxyphenyl A-ring at the N-1 position of the pyrazole skeleton were more potent than those with the A-ring at the C-5 position. Tubulin polymerization and immunostaining experiments revealed that 7k potently inhibited tubulin polymerization and disrupted tubulin microtubule dynamics in a manner similar to CA-4. Computational modelling demonstrated that the binding of 7k to the colchicine binding site on microtubules may involve a similar mode as CA-4.

Direct oxidative coupling of enamines and electron-deficient amines: TBAI/TBHP-mediated synthesis of substituted diaminoalkenes under metal-free conditions

A metal-free cross-coupling of enamines and electron-de fi cient amines through oxidative C(sp2)-N bond formation has been realized by using TBAI as catalyst and TBHP as oxidant. This novel strategy allows for an efficient organocatalytic synthesis of the synthetically useful diaminoalkene derivatives and is highlighted by appealing features such as readily available of the starting materials, wide substrate scope and transition-metal-free characteristics. (Chemical Equation Presented).

Modified reaction conditions to achieve high regioselectivity in the two component synthesis of 1,5-diarylpyrazoles

The factors affecting regioselectivity during the formation of 1,5-diarylpyrazoles from aryl hydrazines and 1,3-diketones are identified and the regioisomers were characterized by 1D NOESY, LC-NMR and X-ray analyses. A simple alteration in the usual react