81225-96-9

Basic information

• Product Name: 3-[(butylamino)methylidene]-1H-1,5-benzodiazepine-2,4(3H,5H)-dione
• CAS NO: 81225-96-9
• Molecular Formula: C₁₄H₁₇N₃O₂
• Molecular Weight: 259.3037
• Mol File: 81225-96-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 512.3°C at 760 mmHg
• Flash Point: 205.7°C
• Density: 1.208g/cm³
• Vapor Pressure: 1.32E-10mmHg at 25°C
• Refractive Index: 1.603
• CAS DataBase Reference: 3-[(butylamino)methylidene]-1H-1,5-benzodiazepine-2,4(3H,5H)-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[(butylamino)methylidene]-1H-1,5-benzodiazepine-2,4(3H,5H)-dione(81225-96-9)
• EPA Substance Registry System: 3-[(butylamino)methylidene]-1H-1,5-benzodiazepine-2,4(3H,5H)-dione(81225-96-9)

Safety Data

• Hazardous Substances Data: 81225-96-9(Hazardous Substances Data)

Upstream product

• 49799-48-6 1H-1,5-benzodiazepine-2,4(3H,5H)-dione 
• 109-73-9 N-butylamine 
• 68-12-2 N,N-dimethyl-formamide 

Downstream Products

• 1204-75-7 3-hydroxyquinoxaline-2-carboxylic acid 
• 15804-19-0 quinoxaline-2,3-dione 
• 81225-99-2 1,5-Dihydro-2H-1,5-benzodiazepin-2,3,4-trione hydrate 

Relevant articles and documents

Mechanistic Investigations with the Aid of Isotopic Labeling, VI. Mechanism of the Ring Contraction of 1,5-Dihydro-2H-1,5-benzodiazepine-2,3,4-triones

Synthesis and ring contraction reactions of 1,5-dihydro-2H-1,5-benzodiazepine-2,3,4-trione hydrate (3) are described.With the aid of 14C-labeling it is shown, that there are different pathways leading to the ring contracted compounds 6 and 7.