230615-70-0

Basic information

• Product Name: 6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacetyl)-
• Synonyms: 6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacetyl)-;6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacetyl)- (9CI);2,2,2-trifluoro-1-(6,7,9,10-tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepin-8-yl)ethanone;7,8,9,10-Tetrahydro-8-(trifluoroacetyl)-6,10-methano-6H-pyrazino[2,3-h][3]benzazepine;1-(9,10-Dihydro-6H-6,10-methanoazepino[4,5-g]-quinoxalin-8(7H)-yl)-2,2,2-trifluoroethanone;10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacetyl)-;1-(9,10-Dihydro-6H-6,10-methanoazepino[4,5-g]quinoxalin-8(7H);-2,2,2-trifluoroethanone
• CAS NO: 230615-70-0
• Molecular Formula: C15H12F3N3O
• Molecular Weight: 307.27
• Product Categories: API intermediates
• Mol File: 230615-70-0.mol
• Article Data: 15

Chemical Properties

• Melting Point: 164-166 ºC
• Boiling Point: 491.9 °C at 760 mmHg
• Flash Point: 251.3 °C
• Appearance: /
• Density: 1.449
• Vapor Pressure: 8.05E-10mmHg at 25°C
• Refractive Index: 1.604
• Storage Temp.: 2-8°C
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 1.50±0.20(Predicted)
• CAS DataBase Reference: 6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacetyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacetyl)-(230615-70-0)
• EPA Substance Registry System: 6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacetyl)-(230615-70-0)

Safety Data

• Hazardous Substances Data: 230615-70-0(Hazardous Substances Data)

Usage

Description

6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacetyl)is a chemical compound with a complex molecular structure. It is characterized by its unique arrangement of atoms and functional groups, which contribute to its specific properties and potential applications.

Uses

Used in Pharmaceutical Industry:
6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacetyl)is used as an intermediate compound for the synthesis of varenicline. Varenicline is a medication approved for smoking cessation, helping individuals quit smoking by reducing withdrawal symptoms and nicotine cravings.
As a Varenicline protected impurity, 6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacetyl)plays a crucial role in the development and production of varenicline. Its presence in the final product is controlled and monitored to ensure the safety, efficacy, and quality of the medication.

InChI:InChI=1/C15H12F3N3O/c16-15(17,18)14(22)21-6-8-3-9(7-21)11-5-13-12(4-10(8)11)19-1-2-20-13/h1-2,4-5,8-9H,3,6-7H2

Upstream product

• 230615-59-5 1-(7,8-dinitro-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone 
• 107-20-0 2-chloroethanal 
• 230615-69-7 1-(7,8-diamino-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone 
• 131543-46-9 Glyoxal 
• 4845-50-5 2,3-dihydroxy-1,4-dioxane 
• 230615-69-7 1-(4,5-diamino-10-azatricyclo[6.3.1.0^2,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone 
• 517-21-5 glyoxal sodium bisulfite 

Relevant articles and documents

COCRYSTAL OF VARENICLINE AND OXALIC ACID, PHARMACEUTICAL COMPOSITION THEREOF, AND METHODS OF USE THEREOF

Provided is a cocrystal of varenicline and oxalic acid. In particular, provided is a cocrystal of varenicline and oxalic acid of formula (I) having a molar ratio of varenicline to oxalic acid of 1:1.5. Also provided is a process for preparing the cocrystal, a pharmaceutical composition containing the cocrystal and a method of using the cocrystal and pharmaceutical composition, such as for reducing nicotine addiction or tobacco use.

Cocrystal of varenicline and oxalic acid, pharmaceutical composition thereof, and methods of use thereof

Provided is a cocrystal of varenicline and oxalic acid. In particular, provided is a cocrystal of varenicline and oxalic acid of formula (I) having a molar ratio of varenicline to oxalic acid of 1:1.5. Also provided is a process for preparing the cocrystal, a pharmaceutical composition containing the cocrystal and a method of using the cocrystal and pharmaceutical composition, such as for reducing nicotine addiction or tobacco use.

PROCESS FOR THE PREPARATION OF SUBSTITUTED QUINOXALINES

The present invention is directed to an improved process for the preparation of substituted quinoxalines by cyclization of the corresponding dianiline in the presence of ion exchange resin.