2419-68-3

Basic information

• Product Name: 1-(3,4-METHYLENEDIOXY-PHENYL)-4,4-DIMETHYL-PENT-1-EN-3-ONE
• Synonyms: RARECHEM AM UC 0304;1-(3,4-METHYLENEDIOXY-PHENYL)-4,4-DIMETHYL-PENT-1-EN-3-ONE;1-(3,4-METHYLENEDIOXY-BENZYLIDENE)-3,3-DIMETHYLBUT-2-ONE;4,4-DiMethyl-1-(3,4-Methylenedioxyphenyl)-1-penten-3-one;4,4-DiMethyl-1-[3,4-(Methylenedioxy)phenyl]-1-penten-3-one
• CAS NO: 2419-68-3
• Molecular Formula: C14H16O3
• Molecular Weight: 232.28
• Product Categories: Aromatics Compounds;Aromatics
• Mol File: 2419-68-3.mol
• Article Data: 6

Chemical Properties

• Melting Point: 91-93°C
• Boiling Point: 358.8°C at 760 mmHg
• Flash Point: 162.1°C
• Appearance: /
• Density: 1.134g/cm³
• Vapor Pressure: 2.49E-05mmHg at 25°C
• Refractive Index: 1.566
• Storage Temp.: -20°C Freezer
• Solubility: Dichloromethane, Ethyl Acetate, Methanol
• CAS DataBase Reference: 1-(3,4-METHYLENEDIOXY-PHENYL)-4,4-DIMETHYL-PENT-1-EN-3-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3,4-METHYLENEDIOXY-PHENYL)-4,4-DIMETHYL-PENT-1-EN-3-ONE(2419-68-3)
• EPA Substance Registry System: 1-(3,4-METHYLENEDIOXY-PHENYL)-4,4-DIMETHYL-PENT-1-EN-3-ONE(2419-68-3)

Safety Data

• Hazardous Substances Data: 2419-68-3(Hazardous Substances Data)

Usage

Description

1-(3,4-METHYLENEDIOXY-PHENYL)-4,4-DIMETHYL-PENT-1-EN-3-ONE, also known as cas# 2419-68-3, is an off-white crystalline solid with significant utility in the field of organic synthesis. 1-(3,4-METHYLENEDIOXY-PHENYL)-4,4-DIMETHYL-PENT-1-EN-3-ONE is characterized by its unique chemical structure, which features a 3,4-methylenedioxy-phenyl group and a 4,4-dimethyl-pent-1-en-3-one backbone, making it a versatile building block for the creation of various complex organic molecules.

Uses

Used in Organic Synthesis:
1-(3,4-METHYLENEDIOXY-PHENYL)-4,4-DIMETHYL-PENT-1-EN-3-ONE is used as a key intermediate in the synthesis of a wide range of organic compounds. Its unique structure allows for the formation of various functional groups and molecular frameworks, making it a valuable asset in the development of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 1-(3,4-METHYLENEDIOXY-PHENYL)-4,4-DIMETHYL-PENT-1-EN-3-ONE is used as a starting material for the development of novel drug candidates. Its chemical versatility enables the creation of diverse molecular structures with potential therapeutic applications, contributing to the discovery of new medicines for various diseases and conditions.
Used in Agrochemical Industry:
1-(3,4-METHYLENEDIOXY-PHENYL)-4,4-DIMETHYL-PENT-1-EN-3-ONE is also utilized in the agrochemical industry for the synthesis of new pesticides and other crop protection agents. Its unique chemical properties allow for the development of innovative compounds with improved efficacy, selectivity, and environmental compatibility.
Used in Flavor and Fragrance Industry:
In the flavor and fragrance industry, 1-(3,4-METHYLENEDIOXY-PHENYL)-4,4-DIMETHYL-PENT-1-EN-3-ONE is used as a building block for the creation of various aroma chemicals and flavor compounds. Its unique structure can be modified to produce a wide range of scents and tastes, enhancing the sensory experience of consumer products.
Used in Material Science:
1-(3,4-METHYLENEDIOXY-PHENYL)-4,4-DIMETHYL-PENT-1-EN-3-ONE is employed in the field of material science for the development of advanced polymers and other high-performance materials. Its chemical structure can be tailored to create materials with specific properties, such as improved strength, durability, or thermal stability, for use in various applications, including electronics, automotive, and aerospace industries.

InChI:InChI=1/C14H16O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8H,9H2,1-3H3/b7-5+

Upstream product

• 49763-96-4 4,4-dimethyl-1-<3,4-(methylenedioxy)-phenyl>-1-penten-3-ol 
• 75-97-8 3,3-dimethyl-butan-2-one 
• 120-57-0 piperonal 
• 274-09-9 Methylenedioxybenzene 

Relevant articles and documents

Synthesis of Vicinal Quaternary All-Carbon Centers via Acid-catalyzed Cycloisomerization of Neopentylic Epoxides

We report our studies on the development of a catalytic cycloisomerization of 2,2-disubstituted neopentylic epoxides to produce highly substituted tetralins and chromanes. Termination of the sequence occurs via Friedel-Crafts-type alkylation of the remote (hetero)arene linker. The transformation is efficiently promoted by sulfuric acid and proceeds best in 1,1,1,3,3,3-hexafluoroisopropanol (HFIP) as the solvent. Variation of the substitution pattern provided detailed insights into the migration tendencies and revealed a competing disproportionation pathway of dihydronaphthalenes.

Synthesis and antitumor evaluation of 5-(benzo[: D] [1,3]dioxol-5-ylmethyl)-4-(tert -butyl)- N -arylthiazol-2-amines

A series of novel N-aryl-5-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(tert-butyl)thiazol-2-amines (C1-C31) were synthesized and evaluated for their antitumor activities against HeLa, A549 and MCF-7 cell lines. Some tested compounds showed potent growth inhibition properties with IC50 values generally below 5 μM against the three human cancer cells lines. Compound C27 showed potent activities against HeLa and A549 cell lines with IC50 values of 2.07 ± 0.88 μM and 3.52 ± 0.49 μM, respectively. Compound C7 (IC50 = 2.06 ± 0.09 μM) was the most active compound against A549 cell line, while compound C16 (IC50 = 2.55 ± 0.34 μM) showed the best inhibitory activity against the MCF-7 cell line. The preliminary mechanism of the inhibitory effect was investigated via further experiments, such as morphological analysis by dual AO/EB staining and Hoechst 33342 staining, and cell apoptosis and cycle assessment by FACS analysis. The results illustrated that compound C27 could induce apoptosis and cause both S-phase and G2/M-phase arrests in HeLa cell line. Therefore, compound C27 could be developed as a potential antitumor agent.

5 - piperonyl - 4 - alkyl - 2 - animal pen Asia amino thiazole and its preparation method and application

The invention relates to 5-piperonyl-4-alkyl-2-benzyliminothiazole shown in the chemical structural formula I (seen in the specification). R is selected from a C1-C2 alkyl group or a C3-C4 linear chain alkyl group or a branched-chain alkyl group. X1 and X5 are selected from hydrogen or deuterium or C1-C2 alkyl group or a hydroxyl or a methoxy group or an oxyethyl group or fluorine or chlorine or bromine. X2 and X4 are selected from hydrogen or deuterium or C1-C2 alkyl group or fluorine or chlorine or bromine or iodine or a nitryl. X3 is selected from hydrogen or deuterium or C1-C2 alkyl group or fluorine or chlorine or bromine or nitryl. The 5-piperonyl-4-alkyl-2-benzyliminothiazole is used for preparing bacteriacide or pesticides or herbicides.