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

Uses

7,8,9,10-Tetrahydro-8-(trifluoroacetyl)-6,10-methano-6H-pyrazino[2,3-h][3]benzazepine is used to prepare varenicline, which is a smoking cessation. It is a Varenicline protected impurity.

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

• 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 
• 230615-59-5 1-(7,8-dinitro-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.

Preparation method of vanniklan tartrate tablets degraded impurities

The present invention proposes a method for the preparation of the degradation of impurities in the tartaric acid vareniclan tablets, with ammonium formate as a hydrogen donor, the dinitrolate is reduced under the palladium carbon catalyzed to obtain a diamidylation, the diaminolide and the aqueous solution of glyal are cyclic reaction to obtain a cyclic product, and then the cyclic product is hydrolyzed under the action of sodium hydroxide, the trifluoroacetyl group is removed to obtain a free base, and finally the free base is reacted with chloroacetic acid under the action of the alkali, and the solvent is evaporated after the end of the reaction, Add water to dissolve and adjust the pH until the solids precipitate from the aqueous phase, collect and filter the solids to dry to obtain acetic acid adducts. The present invention fills the technical gap of the current impurity preparation method, the prepared high-purity impurities can be applied as a control sample to the pharmaceutical impurity research and production quality control process of varenicline tartrate, providing a guarantee for the comprehensive quality control of the varenicline tartrate API.

Process for Preparing Quinoxaline Derivatives

The present invention provides an improved process for preparing a compound of formula (IIIA), an intermediate of the synthesis of varenicline. Also, the present invention provides an improved process for preparing varenicline, or a pharmaceutically acceptable salt or solvate thereof. Furthermore, the present invention provides a process for decolorizing varenicline, or a salt or solvate thereof. Still further, the present invention provides a process of preparing varenicline L-tartrate with improved yield. Still further, the present invention relates to the use of compound of formula (V), or a salt or solvate thereof, as a reference marker and reference standard for assessing the purity of varenicline, or a salt or solvate thereof.