705-36-2

Basic information

• Product Name: 1-methylorotic acid
• Synonyms: 1-methylorotic acid
• CAS NO: 705-36-2
• Molecular Formula: C₆H₆N₂O₄
• Molecular Weight: 170.12
• Mol File: 705-36-2.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 299.73°C (rough estimate)
• Flash Point: 175.9°C
• Appearance: /
• Density: 1.5523 (rough estimate)
• Vapor Pressure: 6.9E-07mmHg at 25°C
• Refractive Index: 1.5100 (estimate)
• Water Solubility: 20.42g/L(20 oC)
• CAS DataBase Reference: 1-methylorotic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 1-methylorotic acid(705-36-2)
• EPA Substance Registry System: 1-methylorotic acid(705-36-2)

Safety Data

• Hazardous Substances Data: 705-36-2(Hazardous Substances Data)

Usage

Chemical compound

1-Methylorotic acid is a chemical compound that belongs to the orotic acid family.

Precursor

It is a precursor in the biosynthesis of pyrimidine nucleotides, which are essential for the synthesis of DNA and RNA.

Derivative

1-Methylorotic acid is a derivative of orotic acid, which is an important compound in the synthesis of DNA and RNA.

Biochemical marker

It has potential use as a biochemical marker for conditions such as cancer and metabolic disorders.

Therapeutic role

1-Methylorotic acid has been studied for its potential therapeutic role in the treatment of certain diseases.

Chemical structure

Its chemical structure allows it to be utilized in pharmaceutical and medical research as a reference standard for analytical purposes.

InChI:InChI=1/C6H6N2O4/c1-8-4(9)2-3(5(10)11)7-6(8)12/h2H,1H3,(H,7,12)(H,10,11)

Upstream product

• 712-92-5 (1-methyl-2,5-dioxo-imidazolidin-4-ylidene)-acetic acid ethyl ester 
• 598-50-5 N-Methylurea 
• 108-56-5 diethyl oxaloacetate 
• 65-86-1 orotic acid 
• 77-78-1 dimethyl sulfate 

Downstream Products

• 608-34-4 3-methyluracil 
• 1254836-28-6 N-(2,4-dichlorobenzyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide 

Relevant articles and documents

New Polynuclear Manganese(II) Complexes with Orotic Acid and some of its Derivatives: Crystal Structures, Spectroscopic and Magnetic Studies

Three polynuclear manganese(II) complexes containing orotic acid (2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, H3L1) or one of its substituted derivatives 2L2) or 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid (H3L1)> have been synthesized and characterized by X-ray crystallography.UV/VIS and magnetic susceptibility measurements.Complex 1 consists of neutral 1)2(H2O)6> units, which form polymer chains along the z axis with a Mn(1)...Mn(2) distance in the unit cell of 5.628(1) Angstroem while the Mn(2)...Mn(2) distance in the chain is 4.715(1) Angstroem.Each unit cell of complex 2 contains one neutral centrosymmetric dimer 2)2(H2O)6> containing a short Mn...Mn distance and an antiferromagnetic exchange interaction is present.The experimental data were fitted to the susceptibility equations resulting from the Hamiltonian H = -2JS1S2 to give exchange parameter J = -1.3 cm-1 and g = 1.95.From EPR spectra of 2, the hyperfine interaction parameter A = -0.27 GHz and the zero-field splitting parameter D = +/-2.93 GHz have been calculated.Each unit cell of complex 3 consists of one dinuclear anion 3)2(H2O)4Cl2>2- and of one cation 2+.The Mn(1) and Mn(2) atoms and the water molecule of the cation 2+ are situated at inversion sites.The dinuclear anions are associated to form chains but the shortest Mn...Mn distance of 5.642(3) Angstroem is observed within the 3)2(H2O)4Cl2>2- unit between Mn(1) and Mn(2).