848172-01-0

Basic information

• Product Name: 1H-1-Benzazepine, 1-benzoyl-2,3,4,5-tetrahydro-5-methylene-
• CAS NO: 848172-01-0
• Molecular Formula: C18H17NO
• Molecular Weight: 263.339
• Mol File: 848172-01-0.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 1H-1-Benzazepine, 1-benzoyl-2,3,4,5-tetrahydro-5-methylene-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-1-Benzazepine, 1-benzoyl-2,3,4,5-tetrahydro-5-methylene-(848172-01-0)
• EPA Substance Registry System: 1H-1-Benzazepine, 1-benzoyl-2,3,4,5-tetrahydro-5-methylene-(848172-01-0)

Safety Data

• Hazardous Substances Data: 848172-01-0(Hazardous Substances Data)

Upstream product

• 848172-00-9 N-(2-bromophenyl)-N-(pent-4-en-1-yl)benzamide 
• 848171-99-3 N-(2-iodophenyl)-N-(pent-4-en-1-yl)benzamide 
• 19300-54-0 toluene-4-sulfonic acid pent-4-enyl ester 
• 70787-27-8 N-(2-bromophenyl)benzamide 
• 15310-02-8 o-iodobenzanilide 
• 17482-20-1 5-(p-toluenesulphonyl)-1-pentene 

Downstream Products

• 848172-04-3 1-benzoyl-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine 

Relevant articles and documents

Stereochemistry of N-Benzoyl-5-substituted-1-benzazepines Revisited: Synthesis of the Conformationally Biased Derivatives and Revision of the Reported Structure

The syn (aR?,5R?) and anti (aS?,5R?) diastereomers of N-benzoyl-C5-substituted-1-benzazepines originating in the chiralities at C5 and the Ar-N(C=O) axis were first stereoselectively synthesized by biasing the conformation with a substituent at C6 and C9, respectively. Detailed examination of the stereochemistry (i.e., conformation and configuration) of these N-benzoyl-1-benzazepines by X-ray crystallographic analysis, VT NMR, and DFT calculations revealed new physicochemical aspects of these heterocycles including revision of the stereochemistry previously reported.