5544-25-2

Basic information

• Product Name: (2E)-3-[(11R,11aS)-9-hydroxy-11-methoxy-8-methyl-5-oxo-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]prop-2-enamide
• CAS NO: 5544-25-2
• Molecular Formula: C₁₇H₁₉N₃O₄
• Molecular Weight: 329.3505
• Mol File: 5544-25-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 631.8°C at 760 mmHg
• Flash Point: 335.9°C
• Density: 1.4g/cm³
• Vapor Pressure: 1.47E-16mmHg at 25°C
• Refractive Index: 1.672
• CAS DataBase Reference: (2E)-3-[(11R,11aS)-9-hydroxy-11-methoxy-8-methyl-5-oxo-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]prop-2-enamide(CAS DataBase Reference)
• NIST Chemistry Reference: (2E)-3-[(11R,11aS)-9-hydroxy-11-methoxy-8-methyl-5-oxo-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]prop-2-enamide(5544-25-2)
• EPA Substance Registry System: (2E)-3-[(11R,11aS)-9-hydroxy-11-methoxy-8-methyl-5-oxo-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]prop-2-enamide(5544-25-2)

Safety Data

• Hazardous Substances Data: 5544-25-2(Hazardous Substances Data)

Usage

Description

(2E)-3-[(11R,11aS)-9-hydroxy-11-methoxy-8-methyl-5-oxo-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]prop-2-enamide is a complex chemical compound with a 1H-pyrrolo[2,1-c][1,4]benzodiazepin core and a prop-2-enamide side chain. It features a 2E double bond geometry, a hydroxy and methoxy group on the 11th position, a methyl group, and a ketone functional group in the core structure. (2E)-3-[(11R,11aS)-9-hydroxy-11-methoxy-8-methyl-5-oxo-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]prop-2-enamide likely possesses biological activity and holds potential for medicinal chemistry research due to its unique structure.

Uses

Used in Medicinal Chemistry Research:
(2E)-3-[(11R,11aS)-9-hydroxy-11-methoxy-8-methyl-5-oxo-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]prop-2-enamide is used as a compound of interest for its potential biological activity and unique structure, which may contribute to the development of new therapeutic agents or drug candidates.

Upstream product

• 67-56-1 methanol 
• 20998-80-5 C₂₃H₂₁N₃O₄ 
• 20998-68-9 (11aS)-2(R)-Hydroxy-8-methyl-9-(benzyloxy)-2,3,5,10,11,11a-hexahydro-5,11-dioxo-1H-pyrrolo<2,1-c><1,4>benzodiazepine 
• 7597-50-4 3-benzyloxy-4-methyl-2-nitrobenzoic acid benzyl ester 
• 6946-15-2 3-hydroxy-4-methyl-2-nitro-benzoic acid 
• 6623-31-0 2-nitro-3-benzyloxy-4-methylbenzoic acid N-hydroxysuccinimide ester 
• 29217-55-8 3t-((9aS)-3-methyl-6,10-dioxo-1ξ-phenyl-(9ar)-9a,10-dihydro-6H,9H-2-oxa-6a,10a-diaza-benzo[cd]cyclopenta[g]azulen-8-yl)-acrylamide 
• 33996-30-4 trans-4-hydroxy-L-proline ethyl ester hydrochloride 
• 18877-32-2 (2R,11aS)-2,9-Dihydroxy-8-methyl-1,2,3,11a-tetrahydro-10H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5,11-dione 
• 121758-43-8 C₂₀H₁₆N₂O₄ 
• 121758-42-7 C₂₀H₁₈N₂O₄ 
• 121758-41-6 N-<4-Methyl-3-(benzyloxy)-2-nitrobenzoyl>hydroxyproline ethyl ester 
• 121758-44-9 C₂₁H₁₅F₃N₂O₆S 

Downstream Products

• 77165-77-6 C11a-C1-dehydro anthramycin N10-C11-imine 

Relevant articles and documents

A total synthesis of anthramycin: Application of palladium-catalyzed coupling reactions for the attachment of the acrylic side chain

Utilization of the palladium-catalyzed reactions of vinyl triflates 8 obtained from model N-substituted (11aS)-2,3,5,10,11,11a-hexahydro-2,5,11-trioxo-1H-pyrrolo[2,1-c][1,4] enzodiazepines (5, 6) either with β-(tributylstannyl)acrylates or acrylic esters