77350-65-3

Basic information

• Product Name: 5-fluoro-4,6-bis(phenylmethoxyamino)-5,6-dihydro-1H-pyrimidin-2-one
• Synonyms: 5-fluoro-4,6-bis(phenylmethoxyamino)-5,6-dihydro-1H-pyrimidin-2-one
• CAS NO: 77350-65-3
• Molecular Formula: C₁₈H₁₉FN₄O₃
• Molecular Weight: 0
• Mol File: 77350-65-3.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• Density: 1.33g/cm³
• Refractive Index: 1.613
• CAS DataBase Reference: 5-fluoro-4,6-bis(phenylmethoxyamino)-5,6-dihydro-1H-pyrimidin-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 5-fluoro-4,6-bis(phenylmethoxyamino)-5,6-dihydro-1H-pyrimidin-2-one(77350-65-3)
• EPA Substance Registry System: 5-fluoro-4,6-bis(phenylmethoxyamino)-5,6-dihydro-1H-pyrimidin-2-one(77350-65-3)

Safety Data

• Hazardous Substances Data: 77350-65-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C18H19FN4O3/c19-15-16(22-25-11-13-7-3-1-4-8-13)20-18(24)21-17(15)23-26-12-14-9-5-2-6-10-14/h1-10,15-16,22H,11-12H2,(H2,20,21,23,24)

Upstream product

• 2687-43-6 O-benzylhydoxylamine hydrochloride 
• 2022-85-7 5-fluorocytosine 

Downstream Products

• 622-33-3 N-benzyloxyamine 

Relevant articles and documents

Stereochemistry of the Formation of 4-Alkoxyimino-5,6-dihydro-6-alkoxyaminopyrimidin-2(1H)-ones from Cytosines and Hydroxylamines

High resolution 1H and 19F n.m.r. data together with deuterium labelling studies are presented which reveal that the addition of hydroxylamines across the 5,6-double bond of cytosines is predominantly trans.The 4-alkoxyimino-5,6-dihydro-6-alkoxyaminopyrimidin-2(1H)-one products show syn/anti isomerism about the 4-alkoxyimino-group dependent on the substituent at N(3) (H or Me, respectively) and conformational changes throughout the molecules which are dependent on the substituents at N(1) (H or Me) and C(5) (H or F).