86499-66-3

Basic information

• Product Name: 8-METHYL-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE
• Synonyms: 8-METHYL-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE;4-(2,5-DICHLORO-PHENYLAZO)-5-METHYL-2-PHENYL-2,4-DIHYDRO-PYRAZOL-3-ONE;8-methyl-1,3,4,5-tetrahydro-benz[b]azepin-2-one;8-methyl-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
• CAS NO: 86499-66-3
• Molecular Formula: C11H13NO
• Molecular Weight: 175.23
• Product Categories: pharmacetical
• Mol File: 86499-66-3.mol
• Article Data: 2

Chemical Properties

• Melting Point: 153-154 °C
• Boiling Point: 345.4°C at 760 mmHg
• Flash Point: 203.6°C
• Appearance: /
• Density: 1.076g/cm³
• Vapor Pressure: 6.16E-05mmHg at 25°C
• Refractive Index: 1.543
• PKA: 15.13±0.20(Predicted)
• CAS DataBase Reference: 8-METHYL-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 8-METHYL-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE(86499-66-3)
• EPA Substance Registry System: 8-METHYL-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE(86499-66-3)

Safety Data

• Hazardous Substances Data: 86499-66-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H13NO/c1-8-5-6-9-3-2-4-11(13)12-10(9)7-8/h5-7H,2-4H2,1H3,(H,12,13)

Upstream product

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Relevant articles and documents

Oxidation of Nonactivated Anilines to Generate N-Aryl Nitrenoids

A low-temperature, protecting-group-free oxidation of 2-substituted anilines has been developed to generate an electrophilic N-aryl nitrenoid intermediate that can engage in C-NAr bond formation to construct functionalized N-heterocycles. The exposure of 2-substituted anilines to PIFA and trifluoroacetic acid or 10 mol percent Sc(OTf)3 triggers nitrenoid formation, followed by productive and selective C-NAr and C-C bond formation to yield spirocyclic- or bicyclic 3H-indoles or benzazepinones. Our experiments demonstrate the breadth of these oxidative processes, uncover underlying fundamental elements that control selectivity, and demonstrate how the distinct reactivity patterns embedded in N-aryl nitrenoid reactive intermediates can enable access to functionalized 3H-indoles or benzazepinones.