2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate

Base Information

• Chemical Name: 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate
• CAS No.: 2244-11-3
• Molecular Formula: C4H2N2O4^.H2O
• Molecular Weight: 160.086
• Hs Code.: 29335995
• European Community (EC) Number: 607-078-0
• DSSTox Substance ID: DTXSID4074859
• Mol file: 2244-11-3.mol

Synonyms:2244-11-3;Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate;Alloxan, monohydrate;2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate;5,6-Dioxyuracil;2,4,5,6-Tetraoxohexahydropyrimidine hydrate;1,3-diazinane-2,4,5,6-tetrone hydrate;Alloxan (hydrate);Alloxan monohydrate, 98%;SCHEMBL344222;DTXSID4074859;MFCD00149399;AKOS000121974;DS-4661;HY-W017227;SB57531;Alloxan monohydrate, >=98.0% (TLC);1,3-diazinane-2,4,5,6-tetrone;hydrate;LS-135589;FT-0621990;EN300-30005;Pyrimidine-2,4,5,6(1H,3H)-tetraonehydrate;D88229;Pyrimidine-2,4,5,6(1H,3H)-tetraone monohydrate;J-200193

Chemical Property of 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate

Chemical Property:

• Appearance/Colour: Off-white to beige-yellowish crystalline powder
• Vapor Pressure: 8.59E-07mmHg at 25°C
• Melting Point: 240 °C
• Boiling Point: 374.1 °C at 760 mmHg
• Flash Point: 180 °C
• PSA: 115.73000
• Density: 1.681g/cm3
• LogP: -2.30910
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Solubility.: H2O: may be hazy yellow
• Water Solubility.: Soluble in water, ethanol, acetone, glacial acetic acid and methanol. Slightly soluble in chloroform, petroleum ether, toluene,
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 160.01202123
• Heavy Atom Count: 11
• Complexity: 222

Purity/Quality:

98%, ^*data from raw suppliers

Alloxan Monohydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 36-26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyrimidines
• Canonical SMILES: C1(=O)C(=O)NC(=O)NC1=O.O
• Uses: specific cytotoxin (beta pacreatic cell) A cytotoxic compound, Alloxan Monohydrate causes oxidative base damage to nuclear DNA. Cytotoxic compound that causes oxidative base damage to nuclear DNAAlloxan monohydrate is used as a precursor to prepare purple dye murexide. It is also used in research models to induce diabetes and destroy beta cells. Further, it is a strong oxidizing agent and it forms a hemiacetal with its reduced reaction product dialuric acid.

Technology Process of 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate

There total 1 articles about 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate 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:

→ alloxan monohydrate (2244-11-3)

Guidance literature:

Reference yield: 83.3%

N-(2-Ethyl-phenyl)-benzene-1,2-diamine (116138-07-9) + alloxan monohydrate (2244-11-3) → 10-(2-Ethyl-phenyl)-10H-benzo[g]pteridine-2,4-dione (116138-09-1)

Guidance literature:

With boric acid; In acetic acid; at 60 ℃; for 0.5h;

Reference yield: 82.0%

1-(4'-methoxy-biphenyl-4-yl)-ethanone (13021-18-6) + alloxan monohydrate (2244-11-3) → C19H16N2O6 (1416355-06-0)

Guidance literature:

With acetic acid; at 115 ℃; for 3h; Reflux;

DOI:10.1016/j.ejmech.2012.09.036

Downstream raw materials:

2-(2,4-Dioxo-3,4-dihydro-2H-benzo[g]pteridin-10-yl)-benzoic acid methyl ester

10-dodecylisoalloxazine

10-Biphenyl-2-yl-10H-benzo[g]pteridine-2,4-dione

10-(2-Ethyl-phenyl)-10H-benzo[g]pteridine-2,4-dione

Refernces