1125-85-5

Basic information

• Product Name: 3,4-Dihydro-2H-1,3-benzoxazin-2-one
• Synonyms: 3,4-Dihydro-2H-1,3-benzoxazin-2-one;3,4-Dihydro-benzo[e][1,3]oxazin-2-one;3,4-Dihydro-1,3-benzoxazin-2-one
• CAS NO: 1125-85-5
• Molecular Formula: C₈H₇NO₂
• Molecular Weight: 149.15
• Mol File: 1125-85-5.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 251.2°C at 760 mmHg
• Flash Point: 105.7°C
• Appearance: /
• Density: 1.244g/cm³
• Vapor Pressure: 0.0207mmHg at 25°C
• Refractive Index: 1.562
• CAS DataBase Reference: 3,4-Dihydro-2H-1,3-benzoxazin-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-Dihydro-2H-1,3-benzoxazin-2-one(1125-85-5)
• EPA Substance Registry System: 3,4-Dihydro-2H-1,3-benzoxazin-2-one(1125-85-5)

Safety Data

• Hazardous Substances Data: 1125-85-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H7NO2/c10-8-9-5-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,9,10)

Upstream product

• 7093-91-6 chloromethyl isocyanate 
• 108-95-2 phenol 
• 201230-82-2 carbon monoxide 
• 932-30-9 2-Hydroxybenzylamine 
• 611-20-1 salicylonitrile 
• 32315-10-9 bis(trichloromethyl) carbonate 
• 75-44-5 phosgene 
• 1127-92-0 3,4-dihydro-4-hydroxy-2H-1,3-benzoxazin-2-one 
• 61361-08-8 (2-hydroxy-phenyl)-acetyl azide 

Downstream Products

• 1383579-70-1 C₁₆H₁₅FN₂O₄S 
• 1008-83-9 3-methyl-3,4-dihydro-2H-benzo[e][1,3]oxazin-2-one 
• 932-30-9 2-Hydroxybenzylamine 

Relevant articles and documents

Continuous Flow Synthesis of Carbonylated Heterocycles via Pd-Catalyzed Oxidative Carbonylation Using CO and O2 at Elevated Temperatures and Pressures

A continuous-flow Pd-catalyzed oxidative carbonylation protocol utilizing CO and O2 gas for the synthesis of carbonylated heterocycles is described. The optimization of temperature, pressure, CO/O2 ratio, catalyst loading, and reaction time resulted in process intensified conditions for this transformation. The optimized continuous flow conditions (120 °C, 20 bar pressure, 24 min residence time) were used to prepare a number of benzoxazolone, 2-benzoxazolidinone, and other biologically and synthetically important five- and six-membered carbonylated heterocycles in good overall yield and purity (14 examples). The continuous-flow process enables the safe and scalable oxidative carbonylation using CO/O2 under elevated pressures and temperatures.

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