253324-93-5

Basic information

• Product Name: Tert-Butyl(S)-1-((S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-ylamino)-1-oxopropan-2-ylcarbamate
• Synonyms: Tert-Butyl(S)-1-((S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-ylamino)-1-oxopropan-2-ylcarbamate
• CAS NO: 253324-93-5
• Molecular Formula: C19H27N3O4
• Molecular Weight: 361.43538
• Mol File: 253324-93-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 607.1±55.0 °C(Predicted)
• Appearance: /
• Density: 1.18±0.1 g/cm3(Predicted)
• PKA: 11.30±0.46(Predicted)
• CAS DataBase Reference: Tert-Butyl(S)-1-((S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-ylamino)-1-oxopropan-2-ylcarbamate(CAS DataBase Reference)
• NIST Chemistry Reference: Tert-Butyl(S)-1-((S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-ylamino)-1-oxopropan-2-ylcarbamate(253324-93-5)
• EPA Substance Registry System: Tert-Butyl(S)-1-((S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-ylamino)-1-oxopropan-2-ylcarbamate(253324-93-5)

Safety Data

• Hazardous Substances Data: 253324-93-5(Hazardous Substances Data)

Usage

InChI:InChI=1S/C19H27N3O4/c1-12(20-18(25)26-19(2,3)4)16(23)21-15-14-9-7-6-8-13(14)10-11-22(5)17(15)24/h6-9,12,15H,10-11H2,1-5H3,(H,20,25)(H,21,23)/t12-,15-/m0/s1

Upstream product

• 425663-71-4 (1S)-1-amino-3-methyl-1H,4H,5H-benzo[d]azaperhydroepin-2-one hydrochloride 
• 15761-38-3 L-N-Boc-Ala 

Relevant articles and documents

Synthesis of a substituted benzazepin-2-one dihydrate

Synthesis of the title compound was accomplished via coupling of (S)-alaninyl-(S)-1-amino-3-methyl-4,5,6,7-tetrahydro-2H-3-benzazepin-2-one with the activated trimethylsilyl ester of (S)-2-trimethylsilyloxy-3-methylbutyric acid, followed by deprotection a