86770-63-0

Basic information

• Product Name: 4H-1,2-Benzoxazin-8(5H)-one, 4a,6,7,8a-tetrahydro-3-methyl-4-phenyl-8a-(1-pyrrolidinyl)-, 2-oxide
• CAS NO: 86770-63-0
• Molecular Formula: C19H24N2O3
• Molecular Weight: 328.411
• Mol File: 86770-63-0.mol

Chemical Properties

• CAS DataBase Reference: 4H-1,2-Benzoxazin-8(5H)-one, 4a,6,7,8a-tetrahydro-3-methyl-4-phenyl-8a-(1-pyrrolidinyl)-, 2-oxide(CAS DataBase Reference)
• NIST Chemistry Reference: 4H-1,2-Benzoxazin-8(5H)-one, 4a,6,7,8a-tetrahydro-3-methyl-4-phenyl-8a-(1-pyrrolidinyl)-, 2-oxide(86770-63-0)
• EPA Substance Registry System: 4H-1,2-Benzoxazin-8(5H)-one, 4a,6,7,8a-tetrahydro-3-methyl-4-phenyl-8a-(1-pyrrolidinyl)-, 2-oxide(86770-63-0)

Safety Data

• Hazardous Substances Data: 86770-63-0(Hazardous Substances Data)

Upstream product

• 705-60-2 1-phenyl-2-nitroprop-1-ene 
• 18543-93-6 2-(1-Pyrrolidinyl)cyclohex-2-en-1-one 

Downstream Products

• 86770-66-3 2R-(2α,3β,3aβ,6aβ)-hexahydro-2-methyl-2-nitro-3-phenyl-6a-(1-pirrolidinyl)-1(2H)-pentalenone 
• 86770-66-3 2S-(2α,3α,3aα,6aα)-hexahydro-2-methyl-2-nitro-3-phenyl-6a-(1-pirrolidinyl)-1(2H)-pentalenone 

Relevant articles and documents

RING-CONTRACTION REACTIONS OF BICYCLIC NITRONIC ESTERS

Hexahydro-4H-1,2-benzoxazine N-oxide derivatives rearrange into 1(2H)-hexahydropentalenone systems.

POLYFUNCTIONALIZED HEXAHYDRO-1(2H)-PENTALENONES BY REARRANGEMENT OF BICYCLIC 1,2-OXAZINE N-OXIDE DERIVATIVES

The title heterocycles rearrange into a mixture of diastereomeric hexahydro-1(H)-pentalenone derivatives, which undergo nucleophilic eliminative ring fission by methanol to give 1-amino-2-nitroalkylated cyclopentancarboxylic esters.The X-ray structure determination of hexahydro-2-methyl-2-nitro-3-phenyl-6a-(1-piperidinyl)-1(2H)-pentalenone is also reported.