2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino]-, ammonium salt (1:1)

Base Information

• Chemical Name: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino]-, ammonium salt (1:1)
• CAS No.: 3051-09-0
• Deprecated CAS: 1059626-26-4,134-02-1,410097-48-2,463929-80-8
• Molecular Formula: C8H8O6N6
• Molecular Weight: 284.188
• Hs Code.: 29335995
• NSC Number: 215208
• Mol file: 3051-09-0.mol

Synonyms:2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino]-, ammonium salt (1:1);azane;5-[(2,4,6-trioxo-1,3-diazinan-5-yl)imino]-1,3-diazinane-2,4,6-trione;5-[(Hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino]-2,4,6(1H,3H,5H)-pyrimidinetrione Ammonium Salt;NSC215208;AKOS025116932;BS-42185;Barbituric acid,5'-nitrilodi-, monoammonium salt;A820411;5-[(2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE)AMINO]-1,3-DIAZINANE-2,4,6-TRIONE AMINE;2,6(1H,3H,5H)-Pyrimidinetrione, 5-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino]-, monoammonium salt

Chemical Property of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino]-, ammonium salt (1:1)

Chemical Property:

• Appearance/Colour: Bordeaux powder
• Vapor Pressure: 4.81E-11mmHg at 25°C
• Melting Point: 300 °C
• Refractive Index: 1.8000 (estimate)
• Boiling Point: 480.8 °C at 760 mmHg
• PKA: pK1:0.0;pK2:9.20;pK3:10.50 (25°C)
• Flash Point: 244.6 °C
• PSA: 176.82000
• Density: 1.5756 (rough estimate)
• LogP: -1.81120
• Storage Temp.: Storage temperature: no restrictions.
• Solubility.: 1g/l
• Water Solubility.: Slightly soluble
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 284.05053200
• Heavy Atom Count: 20
• Complexity: 536

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-[(Hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino]-2,4,6(1H,3H,5H)-pyrimidinetrioneAmmoniumSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-40
• Safety Statements: 24/25-22-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1(C(=O)NC(=O)NC1=O)N=C2C(=O)NC(=O)NC2=O.N
• Uses: Indicator for complexometric titrations. Murexide is used as a complexometric indicator in analytical chemistry for complexometric titrations of calcium, copper nickel and cobalt. It is an inhibitor of dihydrofolate reductase. Further, it acts as an enhancer of sonochemical destruction of chlorinated hydrocarbon pollutants.

Technology Process of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino]-, ammonium salt (1:1)

There total 29 articles about 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino]-, ammonium salt (1:1) 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:

ammonium acetate (631-61-8,92206-38-7) + water (7732-18-5) + Alloxantin (76-24-4) → ammonium 5-(2,4,6-trioxoperhydropyrimidin-5-ylideneamino)barbiturate (3051-09-0) + uramil (118-78-5)

Guidance literature:

at 80 ℃;

Reference yield:

5-hydroxy-2,4,6-trioxo-hexahydro-pyrimidine-5-sulfonic acid ; compound with dimethylamine → ammonium 5-(2,4,6-trioxoperhydropyrimidin-5-ylideneamino)barbiturate (3051-09-0) + dimethyl amine (124-40-3)

Guidance literature:

at 120 ℃;

Reference yield:

pyrimidine-2,4,5,6(1H,3H)-tetraone (61066-33-9,61066-34-0,61066-35-1,61127-23-9) + 5-ethylamino-barbituric acid (633299-48-6) → ammonium 5-(2,4,6-trioxoperhydropyrimidin-5-ylideneamino)barbiturate (3051-09-0)

Guidance literature:

at 80 ℃;

upstream raw materials:

BARBITURIC ACID

5-amino-2,4-dihydroxy-pyrimidine

hydrogenchloride

pyrimidine-2,4,5,6(1H,3H)-tetraone

Downstream raw materials:

uramil

pyrimidine-2,4,5,6(1H,3H)-tetraone

Refernces

• 1、 Andreae, Siegfried,Schmitz, Ernst,Wulf, Jens-Peter,Schulz, Burkhard. "Electrophilic Amination of C-H-Acidic Compounds with 1-Oxa-2-azaspirooctane". . p. 239 - 256. Retrieved 2007/10/02.