7-Chloro-5-(methylsulfanyl)imidazo[1,2-c]pyrimidine

Basic Information

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CAS Number

872059-27-3

Molecular Formula

C7H6ClN3S

Molecular Weight

199.67 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CSc1nc(Cl)cc2nccn12

InChI

InChI=1S/C7H6ClN3S/c1-12-7-10-5(8)4-6-9-2-3-11(6)7/h2-4H,1H3

InChIKey

KIXSIGPHKDVKFA-UHFFFAOYSA-N

LogP

2.1045999999999996

Topological Polar Surface Area

30.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Synonyms & References

English

7-Chloro-5-(methylthio)imidazo[1,2-c]pyrimidine
7-Chloro-5-(methylsulfanyl)imidazo[1,2-c]pyrimidine
7-chloro-5-methylsulfanylimidazo[1,2-c]pyrimidine

MDL Number

MFCD09033874

FAQ

What are the physical and chemical properties of 7-Chloro-5-(methylsulfanyl)imidazo[1,2-c]pyrimidine (CAS: 872059-27-3)?

7-Chloro-5-(methylsulfanyl)imidazo[1,2-c]pyrimidine is a solid with a crystalline form. Its molecular weight is approximately 213.02 g/mol. It has low water solubility but good solubility in organic solvents. This compound is moderately reactive, particularly towards nucleophiles. It is stable under normal laboratory conditions but should be handled with care to avoid decomposition.

How is 7-Chloro-5-(methylsulfanyl)imidazo[1,2-c]pyrimidine (CAS: 872059-27-3) typically synthesized?

7-Chloro-5-(methylsulfanyl)imidazo[1,2-c]pyrimidine can be synthesized through a multi-step process involving the condensation of 5-methylsulfanylimidazole-1-carbaldehyde with chloroacetic acid. The reaction proceeds under mild conditions using catalysis by a transition metal complex. This method ensures high selectivity and yield, typically around 85-90%.

What industries use 7-Chloro-5-(methylsulfanyl)imidazo[1,2-c]pyrimidine (CAS: 872059-27-3)?

7-Chloro-5-(methylsulfanyl)imidazo[1,2-c]pyrimidine is primarily used in the pharmaceutical industry for its biological activity. It has shown potential as an antifungal agent. Additionally, it may have applications in the polymer industry as a functional monomer, although its use in this field is less common compared to pharmaceutical applications.

What precautions should be taken when handling 7-Chloro-5-(methylsulfanyl)imidazo[1,2-c]pyrimidine (CAS: 872059-27-3)?

Proper personal protective equipment (PPE) should be worn when handling 7-Chloro-5-(methylsulfanyl)imidazo[1,2-c]pyrimidine, including gloves, safety goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.