5-(hydroxymethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

Basic Information

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CAS Number

4433-40-3

Molecular Formula

C5H6N2O3

Molecular Weight

142.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

>300 °C

Boiling Point

530.4ºC at 760mmHg

Density

1.401g/cm3

Water Solubility

Soluble in water. (50 g/L ) at 20°C, DMSO, dimethyl formamide or 100% ethanol.

Flash Point

274.6ºC

Refractive Index

1.528

SMILES

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C1=C(C(=O)NC(=O)N1)CO

InChI

InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)

InChIKey

JDBGXEHEIRGOBU-UHFFFAOYSA-N

LogP

-1.4445000000000001

Topological Polar Surface Area

85.94999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

209

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

a-Hydroxythymine
CS-W004924
C03088
HMS1619D05
BCP03534
NSC-20901
F3096-1963
CHEBI:16964
2,4-Dihydroxy-5-hydroxymethylpyrimidine
SR-01000946630-1
5-(Hydroxymethyl)-2,4-pyrimidinediol #
HMU
5-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione;5-(Hydroxymethyl)uracil
Hydroxymethyl Uracil
2,4(1H,3H)-Pyrimidinedione, 5-(hydroxymethyl)-
SCHEMBL5744433
SCHEMBL44459
5-(Hydroxymethyl)uracil
4433-40-3
5-(hydroxymethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
5-(Hydroxymethyl)pyrimidine-2,4-diol
NS00014756
NSC20901
MFCD00006070
s6127
DTXSID9063455
Z276550478
5-(Hydroxymethyl)uracil, 97%
Thymine, alpha-hydroxy-
MFCD00056024
AKOS022634000

MDL Number

MFCD00006070

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 5-(hydroxymethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione (CAS: 4433-40-3)?

5-(hydroxymethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione is a crystalline compound with a molecular weight of approximately 190.17 g/mol. It has a high solubility in water and poor solubility in organic solvents. The compound is known for its reactivity, particularly in nucleophilic substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is 5-(hydroxymethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione (CAS: 4433-40-3) typically synthesized?

5-(hydroxymethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione is typically synthesized through the condensation of 2,4-dione and 5-hydroxymethyl-1,2,3,4-tetrahydropyrimidine. Commonly, this involves the use of a base like sodium hydroxide to facilitate the reaction. The yield is generally high, and the reaction is selective for the desired product under mild conditions.

What industries use 5-(hydroxymethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione (CAS: 4433-40-3)?

5-(hydroxymethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione finds applications in the pharmaceutical industry for its use as a precursor in the synthesis of drugs. It is also utilized in the polymer industry for the development of new materials. Additionally, it has potential uses in sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 5-(hydroxymethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione (CAS: 4433-40-3)?

When handling 5-(hydroxymethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place and handled in a fume hood. In case of a spill, it is recommended to sweep the substance into a container and dispose of it according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.