Methyl 3-(4,6-dihydroxypyrimidin-5-yl)butanoate | CAS No. 1092460-40-6

Methyl 3-(4,6-dihydroxypyrimidin-5-yl)butanoate

Basic Information

CAS Number

1092460-40-6

Molecular Formula

C9H12N2O4

Molecular Weight

212.2 g/mol

AD

Basic Physical Properties

Physical State

White to Yellow Solid

CC(CC(=O)OC)C1=C(N=CNC1=O)O

InChI

InChI=1S/C9H12N2O4/c1-5(3-6(12)15-2)7-8(13)10-4-11-9(7)14/h4-5H,3H2,1-2H3,(H2,10,11,13,14)

InChIKey

XLADYKVTZFVWDT-UHFFFAOYSA-N

LogP

0.14209999999999978

Topological Polar Surface Area

92.28 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

346

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H320 Causes eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • methyl 3-(1,6-dihydro-4-hydroxy-6-oxopyrimidin-5-yl)butanoate
  • METHYL 3-(4,6-DIHYDROXYPYRIMIDIN-5-YL)BUTANOATE
  • Methyl 3-(4,6-Dihydroxy-5-pyrimidyl)butanoate
  • XLADYKVTZFVWDT-UHFFFAOYSA-N
  • AR2849
  • SY038680

MDL Number

MFCD11501883

FAQ

What are the physical and chemical properties of Methyl 3-(4,6-dihydroxypyrimidin-5-yl)butanoate (CAS: 1092460-40-6)?

Methyl 3-(4,6-dihydroxypyrimidin-5-yl)butanoate (CAS: 1092460-40-6) is a crystalline compound with a molecular weight of approximately 214.2 g/mol. It has a low water solubility and is slightly soluble in organic solvents like ethanol and acetone. Chemically, it exhibits good reactivity due to the presence of hydroxyl groups, making it suitable for various chemical reactions. It is stable under acidic and neutral conditions but may degrade under basic conditions.

How is Methyl 3-(4,6-dihydroxypyrimidin-5-yl)butanoate (CAS: 1092460-40-6) typically synthesized?

Methyl 3-(4,6-dihydroxypyrimidin-5-yl)butanoate (CAS: 1092460-40-6) is typically synthesized via a multi-step process involving the condensation of 5-bromomethylpyrimidine and 3-hydroxybutanoic acid methyl ester. The reaction is catalyzed by a strong base like sodium hydride, and the product is isolated by recrystallization. The yield is moderate, around 60-70%, and the reaction is selective, giving a high yield of the desired product.

What industries use Methyl 3-(4,6-dihydroxypyrimidin-5-yl)butanoate (CAS: 1092460-40-6)?

Methyl 3-(4,6-dihydroxypyrimidin-5-yl)butanoate (CAS: 1092460-40-6) is used in the pharmaceutical industry for the synthesis of certain drugs. It is also explored in the polymer industry for the development of new materials with specific properties. Additionally, it has potential applications in sensor technology and semiconductor production due to its functional groups, which can be utilized for surface modifications and functionalization.

What precautions should be taken when handling Methyl 3-(4,6-dihydroxypyrimidin-5-yl)butanoate (CAS: 1092460-40-6)?

When handling Methyl 3-(4,6-dihydroxypyrimidin-5-yl)butanoate (CAS: 1092460-40-6), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Handle in a well-ventilated area or a fume hood to prevent inhalation of any vapor. Spills should be cleaned up immediately using appropriate absorbents and disposed of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling and storage information.

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