253324-92-4

Basic information

• Product Name: 2H-3-BENZAZEPIN-2-ONE,1-AMINO-1,3,4,5-TETRAHYDRO-3-METHYL-,(1S)-
• Synonyms: 2H-3-BENZAZEPIN-2-ONE,1-AMINO-1,3,4,5-TETRAHYDRO-3-METHYL-,(1S)-;(1S)-1-Amino-1,3,4,5-tetrahydro-3-methyl-2H-3-benzazepin-2-one;1-aMino-1;2H-3-BENZAZEPIN-2-ONE,1-AMINO-1,3,4,5-TETRAHYDRO-3-METHYL-,(1S)-3;(S)-1-amino-3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one;(S)-1-Amino-1,3,4,5-tetrahydro-3-methyl-2H-3-benzazepin-2-one;(S)-1-Amino-1,3,4,5-tetrahydro-3-methyl-2H-3-benzazepin-2-one,99%e.e.
• CAS NO: 253324-92-4
• Molecular Formula: C11H14N2O
• Molecular Weight: 190.24
• Mol File: 253324-92-4.mol
• Article Data: 2

Chemical Properties

• Melting Point: 98-99 °C
• Boiling Point: 372.7°C at 760 mmHg
• Flash Point: 179.2°C
• Appearance: /
• Density: 1.124
• Vapor Pressure: 9.42E-06mmHg at 25°C
• Refractive Index: 1.563
• PKA: 7.49±0.20(Predicted)
• CAS DataBase Reference: 2H-3-BENZAZEPIN-2-ONE,1-AMINO-1,3,4,5-TETRAHYDRO-3-METHYL-,(1S)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2H-3-BENZAZEPIN-2-ONE,1-AMINO-1,3,4,5-TETRAHYDRO-3-METHYL-,(1S)-(253324-92-4)
• EPA Substance Registry System: 2H-3-BENZAZEPIN-2-ONE,1-AMINO-1,3,4,5-TETRAHYDRO-3-METHYL-,(1S)-(253324-92-4)

Safety Data

• Hazardous Substances Data: 253324-92-4(Hazardous Substances Data)

Usage

General Description

2H-3-Benzazepin-2-one, 1-amino-1,3,4,5-tetrahydro-3-methyl, (1S)-, also known as (S)-3-Amino-1,3,4,5-tetrahydro-3-methyl-2H-3-benzazepin-2-one, is a chemical compound with a molecular formula of C12H16N2O. It is a chiral compound with a single chiral center, and its enantiomer (R)-3-Amino-1,3,4,5-tetrahydro-3-methyl-2H-3-benzazepin-2-one is also known. 2H-3-BENZAZEPIN-2-ONE,1-AMINO-1,3,4,5-TETRAHYDRO-3-METHYL-,(1S)- is a white to beige powder that is sparingly soluble in water. It is used as a building block and intermediate in the synthesis of pharmaceutical compounds, especially in the development of central nervous system drugs.

InChI:InChI=1/C11H14N2O/c1-13-7-6-8-4-2-3-5-9(8)10(12)11(13)14/h2-5,10H,6-7,12H2,1H3/t10-/m0/s1

Upstream product

• 13230-84-7 2-chloro-N-methyl-N-(2-phenylethyl)acetamide 
• 103-63-9 1-phenyl-2-bromoethane 
• 253324-91-3 1-amino-3-methyl-1H,4H,5H-benzo-[d]azaperhydroepin-2-one 
• 32634-66-5 Di-p-toluoyl-L-tartaric acid 
• 589-08-2 N-Methyl-N-phenethylamine 
• 73644-95-8 1,2,4,5-tetrahydro-3-methyl-3H-3-benzazepin-2-one 
• 253324-90-2 1-(hydroxyimino)-3-methyl-1,3,4,5-tetrahydrobenz[d]azepin-2-one 

Downstream Products

• 253324-92-4 (1S)-1-amino-3-methyl-1H,4H,5H-benzo[d]azaperhydroepin-2-one 
• 253324-92-4 (1R)-1-amino-3-methyl-1H,4H,5H-benzo[d]azaperhydroepin-2-one 
• 425663-71-4 (1S)-1-amino-3-methyl-1H,4H,5H-benzo[d]azaperhydroepin-2-one hydrochloride 
• 425386-58-9 (1S)-1-amino-3-methyl-1H,4H,5H-benzo[d]azaperhydroepin-2-one di-p-toluoyl-L-tartrate 

Relevant articles and documents

METHOD FOR PRODUCING BENZAZEPINONE

It is an object of the present invention to provide 2-iminocarboxylic acid derivatives, and a practically suitable industrial method for producing benzazepinones in a short process under mild conditions. The present invention provides a method for producing a benzazepinone or a salt thereof, which comprises opening a ring of an isoquinoline derivative and subsequently converting the thus generated amine into a benzazepinone through lactamization reaction.