5-Bromo-2-(methylsulfinyl)pyrimidine

Basic Information

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CAS Number

79685-17-9

Molecular Formula

C5H5BrN2OS

Molecular Weight

221.08 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

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

SMILES

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CS(=O)c1ncc(cn1)Br

InChI

InChI=1S/C5H5BrN2OS/c1-10(9)5-7-2-4(6)3-8-5/h2-3H,1H3

InChIKey

WYOCZUNSYMRRKF-UHFFFAOYSA-N

LogP

0.9765000000000001

Topological Polar Surface Area

42.85 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Synonyms & References

English

5-Bromo-2-(methylsulfinyl)pyrimidine
5-bromo-2-methylsulfinylpyrimidine

MDL Number

MFCD19689658

FAQ

What are the physical and chemical properties of 5-Bromo-2-(methylsulfinyl)pyrimidine (CAS: 79685-17-9)?

5-Bromo-2-(methylsulfinyl)pyrimidine is a white crystalline solid with a molecular weight of approximately 236.09 g/mol. It has a low water solubility and is soluble in organic solvents such as ethanol and dimethylformamide. This compound is relatively stable but can react with bases to form the corresponding bromide salt. It is an important intermediate in organic synthesis and medicinal chemistry.

How is 5-Bromo-2-(methylsulfinyl)pyrimidine (CAS: 79685-17-9) typically synthesized?

5-Bromo-2-(methylsulfinyl)pyrimidine is typically synthesized by bromination of 2-(methylthio)pyrimidine followed by oxidation of the sulfhydryl group to a sulfoxide. The reaction is usually carried out using N-bromosuccinimide (NBS) as the brominating agent and a radical initiator. The yield is generally high, and the selectivity is good, making it a suitable method for producing this compound.

What industries use 5-Bromo-2-(methylsulfinyl)pyrimidine (CAS: 79685-17-9)?

5-Bromo-2-(methylsulfinyl)pyrimidine is primarily used in pharmaceuticals and medicinal chemistry. It serves as an intermediate in the synthesis of various bioactive compounds and drugs. Additionally, it is also used in the development of sensors and materials science due to its unique chemical and physical properties.

What precautions should be taken when handling 5-Bromo-2-(methylsulfinyl)pyrimidine (CAS: 79685-17-9)?

When handling 5-Bromo-2-(methylsulfinyl)pyrimidine, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be managed carefully, and the Material Safety Data Sheet (MSDS) should be consulted for specific spill procedures. In case of accidental ingestion or skin contact, seek medical attention immediately.