Lumazine

Base Information

• Chemical Name: Lumazine
• CAS No.: 487-21-8
• Deprecated CAS: 27899-40-7,27899-42-9,525-77-9,27899-42-9,525-77-9
• Molecular Formula: C6H4N4O2
• Molecular Weight: 164.123
• Hs Code.: 29335995
• European Community (EC) Number: 207-652-7
• NSC Number: 225113,41801
• UNII: 260MF9U4WC
• DSSTox Substance ID: DTXSID0060068
• Nikkaji Number: J6.019D
• Wikidata: Q17189420
• Metabolomics Workbench ID: 50521
• ChEMBL ID: CHEMBL1234104
• Mol file: 487-21-8.mol

Synonyms:2,4-pteridinedione;lumazine

Chemical Property of Lumazine

Chemical Property:

• Appearance/Colour: LIGHT YELLOW TO OCHRE POWDER
• Vapor Pressure: 9.33E-13mmHg at 25°C
• Melting Point: 300 °C
• Refractive Index: 1.601
• Boiling Point: 551.1oC at 760 mmHg
• PKA: pK1:<1.3;pK2:7.92 (25°C)
• Flash Point: 287.1oC
• PSA: 91.50000
• Density: 1.523 g/cm³
• LogP: -0.99360
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly)
• Water Solubility.: 0.125 g/100 mL (25 ºC)
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 164.03342538
• Heavy Atom Count: 12
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

Lumazine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CN=C2C(=N1)C(=O)NC(=O)N2
• Uses: Lumazine is a new MALDI matrix for complex (phospho)lipid mixtures analysis.

Technology Process of Lumazine

There total 16 articles about Lumazine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%

3-aminopyrazinoic acid (5424-01-1) + urea (57-13-6) → Lumazine (487-21-8)

Guidance literature:

In N,N-dimethyl acetamide; for 0.05h; microwave irradiation;

DOI:10.1246/cl.2005.1438

Reference yield: 86.0%

2-amino-3-pyrazinonitrile (25911-65-3) + carbon dioxide (124-38-9,18923-20-1) → Lumazine (487-21-8)

Guidance literature:

With 1,5-diazabicyclo[4.3.0]non-5-ene 2,2,2-trifluoroethanol; at 90 ℃; for 20h;

Reference yield: 46.0%

2-aminopteridin-4(3H)-one (2236-60-4) → Lumazine (487-21-8)

Guidance literature:

With perchloric acid; at 110 - 130 ℃; for 0.416667h;

DOI:10.1002/ejoc.200700271

upstream raw materials:

5,6-diaminouracil

glyoxal sodium bisulfite

pyrazine-2,3-dicarboxamide

2-aminopteridin-4(3H)-one

Downstream raw materials:

2-Aminopyrazine

3-oxo-3,4-dihydropyrazine-2-carboxylic acid

3-aminopyrazinoic acid

1-[O³,O⁵-bis-(4-methyl-benzoyl)-α-L-erythro-2-deoxy-pentofuranosyl]-1H-pteridine-2,4-dione

Refernces

• 1、 -. "Preparation method of heterocyclicpyrimidinedione compound". Paragraph 0039; 0040; 0041. . Retrieved 2018/03/26.
• 2、 Hurtado-Sanchez, Maria Del Carmen,Espinosa-Mansilla, Anunciacion,Rodriguez-Caceres, Maria Isabel,Duran-Meras, Isabel. "Evaluation of liquid chromatographic behavior of lumazinic derivatives, from α-dicarbonyl compounds, in different c18 columns: Application to wine samples using a fused-core column and fluorescence detection". . p. 97 - 106. Retrieved 2014/01/23.