96605-61-7

Basic information

• Product Name: N-[3-(3-DIMETHYLAMINO-1-OXO-2-PROPENYL)PHENYL]ACETAMIDE
• Synonyms: AKOS B035607;N-[3-(3-DIMETHYLAMINO-1-OXO-2-PROPENYL)PHENYL]ACETAMIDE;N-[3-(3-Dimethylaminoacryloyl)phenyl]acetamide;3-DiMethylaMino-1-(3-acetaMidophenyl)-2-propen-1-one;N-[3-[3-(DiMethylaMino)-1-oxo-2-propen-1-yl]phenyl]acetaMide
• CAS NO: 96605-61-7
• Molecular Formula: C13H16N2O2
• Molecular Weight: 232.28
• Product Categories: Amines;Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 96605-61-7.mol
• Article Data: 17

Chemical Properties

• Boiling Point: 425.4 °C at 760 mmHg
• Flash Point: 211.1 °C
• Appearance: /
• Density: 1.136 g/cm³
• Vapor Pressure: 1.92E-07mmHg at 25°C
• Refractive Index: 1.582
• Solubility: Chloroform, Dichloromethane
• CAS DataBase Reference: N-[3-(3-DIMETHYLAMINO-1-OXO-2-PROPENYL)PHENYL]ACETAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: N-[3-(3-DIMETHYLAMINO-1-OXO-2-PROPENYL)PHENYL]ACETAMIDE(96605-61-7)
• EPA Substance Registry System: N-[3-(3-DIMETHYLAMINO-1-OXO-2-PROPENYL)PHENYL]ACETAMIDE(96605-61-7)

Safety Data

• Hazardous Substances Data: 96605-61-7(Hazardous Substances Data)

Usage

Uses

Intermediate in the preparation of Zaleplon

InChI:InChI=1/C13H16N2O2/c1-10(16)14-12-6-4-5-11(9-12)13(17)7-8-15(2)3/h4-9H,1-3H3,(H,14,16)

Upstream product

• 7463-31-2 3-Acetamidoacetophenone 
• 4637-24-5 N,N-dimethyl-formamide dimethyl acetal 

Relevant articles and documents

A new approach for the synthesis of novel naphthoquinone chalcone hybrid compounds

A facile and efficient synthesis of novel naphthoquinone-based chalcone hybrids (7 and 24) via the microwave-assisted one-pot three-component reactions of 2-substituted-1,4-naphthoquinones, N,N-dimethylformamide dimethyl acetal (DMF-DMA), and acetophenone derivatives has been reported. Whereas the synthesis of hybrids 7 proceeded via a condensation, 1,4-addition, rotation, elimination, and [1,3]-H shift sequence of steps, the synthesis of hybrids 24 were formed through a three-step sequence including condensation, 1,4-addition, and elimination reactions.

FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS

The invention is fused heterocyclic compounds of formula (I), and salts thereof, compositions thereof, and methods of use therefor. In particular, disclosed herein are certain fused heterocyclic compounds that can be useful for inhibiting protein kinase, including Bruton's tyrosine kinase (Btk), and for treating disorders mediated thereby.

3-Acyl-5-hydroxybenzofuran derivatives as potential anti-estrogen breast cancer agents: A combined experimental and theoretical investigation

We first report the application of 3-acyl-5-hydroxybenzofurans as a scaffold to develop potential drugs for breast cancer. Seven novel derivative compounds were synthesized by using a microwave-assisted synthesis method. Those compounds exhibited different antiproliferation against human breast cancer MCF-7 cells, with the best activity of IC50 = 43.08 μM for compound 1. A Quantum Mechanics Polarized Ligand Docking (QPLD) study was carried out to investigate the binding interactions between these compounds and estrogen receptor alpha (ERα). The simulation results showed that the trend of receptor-ligand binding interactions was same as that of their antiproliferative activities. A detailed analysis indicated that compound 1 possesses the highest Van der Waals and hydrogen bond interactions compared to the other six compounds and better inhibitors are achievable by enhancing the hydrogen bond interactions. Based on these results, we addressed that 3-acyl-5-hydroxybenzofuran is an attractive scaffold for designing drugs against breast cancer.