99747-55-4

Basic information

• Product Name: 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester
• Synonyms: 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester
• CAS NO: 99747-55-4
• Molecular Formula: C₂₇H₂₆N₃O₄P
• Molecular Weight: 487.486801
• Mol File: 99747-55-4.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester(99747-55-4)
• EPA Substance Registry System: 1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxo-6-[(triphenylphosphoranylidene)amino]-5-pyrimidinecarboxylic acid ethyl ester(99747-55-4)

Safety Data

• Hazardous Substances Data: 99747-55-4(Hazardous Substances Data)

Usage

Molecular structure

A complex organic compound with a pyrimidine ring, featuring various functional groups such as carbonyl, ester, and phosphoranylideneamino.

Functional groups

Carbonyl (C=O), ester (R-COO-R'), and phosphoranylideneamino (P(Ph3)=N-R) groups are present in the molecule.

Derivative

It is an ethyl ester derivative of a pyrimidinecarboxylic acid, indicating the presence of an ester functional group formed from the reaction with ethanol.

Phosphoranylideneamino group

The compound has a P(Ph3)=N-R functional group, which is a triphenylphosphoranylidene amino group attached to the pyrimidine ring.

Potential applications

Due to its complex structure and multiple functional groups, the compound may be useful in various chemical reactions and pharmaceutical applications, although further research and testing are required to determine its specific uses.

Safety and handling

The compound's complex structure and potential reactivity necessitate the implementation of thorough safety measures and proper handling procedures when working with it.

Upstream product

• 37472-94-9 6-amino-1,3-dimethyl-5-(ethoxycarbonyl)uracil 
• 2526-64-9 dichlorotriphenylphosphorane 

Downstream Products

• 120240-20-2 7-Ethoxy-1,3-dimethyl-6-phenyl-1H,6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione 
• 120240-26-8 7-benzylamino-1,3-dimethyl-2,4,5-trioxo-6-phenyl-1,2,3,4,5,6-hexahydropyrimido<4,5-d>pyrimidine 
• 120240-27-9 7-isopropylamino-1,3-dimethyl-6-(4-methylphenyl)-2,4,5-trioxo-1,2,3,4,5,6-hexahydropyrimido<4,5-d>pyrimidine 
• 120240-28-0 7-isopropylamino-1,3-dimethyl-2,4,5-trioxo-6-phenyl-1,2,3,4,5,6-hexahydropyrimido<4,5-d>pyrimidine 
• 64467-29-4 1,3-dimethyl-2,4,5,7-tetraoxo-6-phenyl-1,2,3,4,5,6,7,8-octahydropyrimido<4,5-d>pyrimidine 
• 120240-21-3 7-Ethoxy-1,3-dimethyl-6-p-tolyl-1H,6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione 
• 120240-23-5 7-Ethoxy-1,3-dimethyl-6-(3-trifluoromethyl-phenyl)-1H,6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione 
• 120240-25-7 6-(3-Chloro-phenyl)-7-ethoxy-1,3-dimethyl-1H,6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione 

Relevant articles and documents

Reactions of Uracils. 6. New Ring Transformations of 6-Aminouracils with Acetylenedicarboxylates to Pyridinedionates and Pyrrolopyridines. Some Revised Constitutions

Treatment of 6--1,3-dimethyluracils 8 with dialkyl acetylenedicarboxylates in aprotic solvents affords zwitterionic pyridinedionates 12, involving a novel ring transformation reaction, via cleaving attack of a terminal carbanion to the 2-carbonyl of the uracil.In protic solvents 12 undergo a smooth heterocyclization reaction to give the pyrrolopyridines 14.The structures of 12b and 14b have been established by single-crystal X-ray diffraction.By spectroscopic comparison as well as by independent syntheses 12 proved to be closely related (phosphorylated) analogues of previously reported "ureas 17 and 18", while 13 was identical with the "5-propynoyluracil 15".Catalytic hydrogenation of 13a gave carbinol 20, which proved by means of 1H (H-D exchange) and 13C NMR to be identical with "cis-olefin 19".