191744-13-5

Basic information

• Product Name: CX614
• Synonyms: CX614;BDP 37;LiD 37;2,3,6a,7,8,9-Hexahydro-11H-1,4-dioxino[2,3-g]pyrrolo[2,1-b][1,3]benzoxazin-11-one;6a,7,8,9-tetrahydro-2H-[1,4]dioxino[2',3':4,5]benzo[1,2-e]pyrrolo[2,1-b][1,3]oxa;6a,7,8,9-Tetrahydro-2H-[1,4]dioxino[2',3':4,5]benzo[1,2-e]pyrrolo[2,1-b][1,3]oxazin-11(3H)-one
• CAS NO: 191744-13-5
• Molecular Formula: C13H13NO4
• Molecular Weight: 247.249
• Product Categories: Aromatics;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 191744-13-5.mol
• Article Data: 2

Chemical Properties

• Melting Point: 149-151°C
• Boiling Point: 473.8 °C at 760 mmHg
• Flash Point: 240.3 °C
• Appearance: /
• Density: 1.45 g/cm³
• Vapor Pressure: 3.82E-09mmHg at 25°C
• Refractive Index: 1.651
• Storage Temp.: Refrigerator
• Solubility: Chloroform, DMSO, Methanol
• PKA: -1.49±0.20(Predicted)
• CAS DataBase Reference: CX614(CAS DataBase Reference)
• NIST Chemistry Reference: CX614(191744-13-5)
• EPA Substance Registry System: CX614(191744-13-5)

Safety Data

• Hazardous Substances Data: 191744-13-5(Hazardous Substances Data)

Usage

Chemical Properties

White to Off-White Solid

Uses

It is one of a series of AMPA modulators matergic AMPA receptors.

InChI:InChI=1/C13H13NO4/c15-13-8-6-10-11(17-5-4-16-10)7-9(8)18-12-2-1-3-14(12)13/h6-7,12H,1-5H2

Upstream product

• 201230-82-2 carbon monoxide 
• 1268833-83-5 7-(5,6-dihydro-4H-1,3-oxazin-2-yl)-2,3-dihydrobenzo[b][1,4]dioxin-6-ol 
• 1268833-96-0 7-hydroxy-2,3-dihydrobenzo[b][1,4]dioxine-6-carbonitrile 
• 116757-65-4 7-hydroxy-2,3-dihydrobenzo[b][1,4]dioxine-6-carbaldehyde 
• 1602983-08-3 (7-hydroxy-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)(pyrrolidin-1-yl)methanone 
• 1602983-06-1 pyrrolidin-1-yl(2,4,5-trihydroxyphenyl)methanone 
• 695197-84-3 pyrrolidin-1-yl(2,4,5-trimethoxyphenyl)methanone 
• 42833-66-9 2,4,5-trimethoxybenzoyl chloride 
• 490-64-2 asaronic acid 

Relevant articles and documents

Predictably selective (sp3)C-O bond formation through copper catalyzed dehydrogenative coupling: Facile synthesis of dihydro-oxazinone derivatives

An intramolecular dehydrogenative (sp3)C-O bond formation in salicylamides can be initiated by an active Cu/O2 species to generate pharamaceutically relevant dihydro-oxazinones. Experimental findings suggest that stereoelectronic parameters in both coupling partners are controlling factors for site selectivity in bond formation. Mechanistic investigations including isotope labeling, kinetic studies helped to propose a catalytic cycle. The method provides a convenient synthesis of an investigational new medicine CX-614, which has potential in finding treatment for Parkinson's and Alzheimer's diseases.