59048-06-5

Basic information

• Product Name: (5Z)-1-methylpyrimidine-2,4,5,6(1H,3H)-tetrone 5-oxime
• CAS NO: 59048-06-5
• Molecular Formula: C₅H₅N₃O₄
• Molecular Weight: 171.1109
• Mol File: 59048-06-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 379.3°C at 760 mmHg
• Flash Point: 183.2°C
• Density: 1.84g/cm³
• Vapor Pressure: 2.6E-07mmHg at 25°C
• Refractive Index: 1.709
• CAS DataBase Reference: (5Z)-1-methylpyrimidine-2,4,5,6(1H,3H)-tetrone 5-oxime(CAS DataBase Reference)
• NIST Chemistry Reference: (5Z)-1-methylpyrimidine-2,4,5,6(1H,3H)-tetrone 5-oxime(59048-06-5)
• EPA Substance Registry System: (5Z)-1-methylpyrimidine-2,4,5,6(1H,3H)-tetrone 5-oxime(59048-06-5)

Safety Data

• Hazardous Substances Data: 59048-06-5(Hazardous Substances Data)

Usage

Description

(5Z)-1-methylpyrimidine-2,4,5,6(1H,3H)-tetrone 5-oxime, with the molecular formula C5H5N3O4, is an oxime derivative of 5-methylbarbituric acid. It is a tetrone, characterized by a four-membered ring with two ketone groups, and is also a pyrimidine derivative, featuring a six-membered ring with nitrogen atoms at the 1, 3, and 5 positions. This chemical compound holds potential in the realms of organic chemistry and pharmaceuticals, with ongoing research into its properties and possible applications.

Uses

Used in Pharmaceutical Synthesis:
(5Z)-1-methylpyrimidine-2,4,5,6(1H,3H)-tetrone 5-oxime is utilized as an intermediate in the synthesis of specific pharmaceuticals. Its unique structure and reactivity make it a valuable component in the development of new drugs.
Used in Organic Chemistry Research:
In the field of organic chemistry, (5Z)-1-methylpyrimidine-2,4,5,6(1H,3H)-tetrone 5-oxime serves as a subject of study for understanding its properties, reactivity, and potential use in the creation of novel chemical compounds and materials.
Used in Drug Development:
(5Z)-1-methylpyrimidine-2,4,5,6(1H,3H)-tetrone 5-oxime is employed as a key component in the development of new drugs, particularly in the pharmaceutical industry. Its structural features and chemical properties contribute to the design and synthesis of innovative therapeutic agents.

Upstream product

• 61033-04-3 5-nitroso-6-amino-3-methyl-1,3-dihydropyrimidine-2,4-dione 
• 605-99-2 3-methyluric acid 
• 83-67-0 theobromine / 
• 2757-83-7 1-methylalloxan 

Relevant articles and documents

Complexes with 6-amino-5-nitroso-2-thiouracil and violuric acid derivatives containing the fac-ReI(CO)3 core: Synthesis, XRD structural and photoluminescence characterization

The fac-tricarbonylrhenium(I) complexes of the 6-amino-1,3-dimethyl-5- nitroso-2-thiouracil (DANTU) and violuric acid (VIO) and its mono- (MVIO) and dimethyl (DVIO) derivatives have been prepared. The complexes have been characterized by elemental analysis, IR, 1H and 13C NMR spectral methods and luminescence spectroscopy. The structures of [ReCl(CO) 3(DANTU)], [Re(H2O)(CO)3(VIOH-1)] and [Re(H2O)(CO)3(DVIOH-1)] complexes were solved from single-crystal X-ray diffraction experiments. The coordination environment around the Re(I) may be described as a distorted octahedron in which the ligand behaves in a bidentate fashion through the nitrogen atom of the nitroso group and an adjacent carbonylic oxygen, making a five-membered chelate ring. The coordination sphere is completed with three carbonyl groups in fac-arrangement and one chlorine atom (DANTU complex) or water molecule (VIO complexes). The higher acidity of violuric acids, if compared with DANTU one, may explain both synergic deprotonation and chloride substitution in the [ReCl(CO)3]+ moiety to form the Re-violurato complexes.