2-(beta-D-Ribofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione

Basic Information

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CAS Number

54-25-1

Molecular Formula

C8H11N3O6

Molecular Weight

245.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

158.0 to 161.0 deg-C

Boiling Point

388.15°C (rough estimate)

Water Solubility

It is soluble in water.

Refractive Index

1.7950 (estimate)

SMILES

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C1=NN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O

InChI

InChI=1S/C8H11N3O6/c12-2-3-5(14)6(15)7(17-3)11-8(16)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,16)/t3-,5-,6-,7-/m1/s1

InChIKey

WYXSYVWAUAUWLD-SHUUEZRQSA-N

LogP

-3.4569

pKa

6.70(at 25℃)

Topological Polar Surface Area

137.67000000000002 Å²

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

372

Synonyms & References

English

ribo-Azauracil
2-beta-D-Ribofuranosyl-1,2,4-triaine-3,5(2H,4H)-dione
39455-15-7
as-Triazine-3,5(2H,4H)-dione, 2beta-D-ribofuranosyl-
NC00338
2.beta.-D-Ribofuranosyl-as-triazine-3,5(2H,4H)-dione
MLS001424191
AKOS015912563
3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazine riboside
6-Azur
6-Azauracil 1-riboside
2-(beta-D-Ribofuranosyl)-1,2,4-triazine-3,5-diol
MLS000028524
REGID_for_CID_5901
EINECS 200-199-6
HMS2235A19
Riboazauracil
SCHEMBL3250
Ribo-azuracil
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazine-3,5-dione
6-Azuridine
2-.beta.-D-Ribofuranosyl-1,2,4-triazine-3,5(2H,4H)-dione
2-beta-D-Ribofuranosyl-1,2,4-triazin-3,5(2H,4H)-dion
Q27116561
EX-A3668
CHEBI:35668
HSDB 3206
cid_5901
AzUR
2beta-D-Ribofuranosyl-as-triazine-3,5(2H,4H)-dione
6-Methyl-Ump

MDL Number

MFCD00006472

Customs Code

29349990

FAQ

What are the physical and chemical properties of 2-(β-D-ribofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione (CAS: 54-25-1)?

2-(β-D-ribofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione (CAS: 54-25-1) is a crystalline solid with a molecular weight of approximately 242.25 g/mol. It has a low solubility in water but is more soluble in organic solvents. This compound is known for its stability and reactivity in various chemical reactions, particularly in nucleophilic substitution reactions.

How is 2-(β-D-ribofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione (CAS: 54-25-1) typically synthesized?

2-(β-D-ribofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione is synthesized through the condensation of 2-amino-4,6-dihydroxy-1,3,5-triazine with D-ribose. This process typically involves the use of a base such as sodium hydroxide as a catalyst, followed by purification steps to obtain the desired product with high selectivity and yield.

What industries use 2-(β-D-ribofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione (CAS: 54-25-1)?

2-(β-D-ribofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione (CAS: 54-25-1) is used in the pharmaceutical industry for the synthesis of nucleoside analogs used in antiviral and anticancer drugs. It is also utilized in the polymer industry for the development of new materials and in the semiconductor industry for its use in photoresists and other electronic applications.

What precautions should be taken when handling 2-(β-D-ribofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione (CAS: 54-25-1)?

When handling 2-(β-D-ribofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione (CAS: 54-25-1), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to avoid inhalation of dust or fumes. In case of a spill, it is recommended to use spill kits and follow the safety data sheet (SDS) guidelines for proper disposal.