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7-Bromo-4-chlorothieno[3,2-d]pyrimidine(CAS: 31169-27-4)

7-Bromo-4-chlorothieno[3,2-d]pyrimidine
CAS Number

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Basic Information

Molecular Formula
C6H2BrClN2S
Molecular Weight
249.52 g/mol
Physical State
White to Yellow Solid

Chemical Identifiers

SMILES
C1=C(C2=C(S1)C(=NC=N2)Cl)Br
InChIKey
LJFZDPZIIKOATA-UHFFFAOYSA-N

Database References

MDL Number
MFCD08273917

FAQ

7-Bromo-4-chlorothieno[3,2-d]pyrimidine is a crystalline solid with a molecular weight of approximately 285.03 g/mol. It has a low water solubility (around 0.01 g/L at 25°C) and good solubility in organic solvents like DMSO and acetonitrile. The compound is moderately reactive and susceptible to hydrolysis under basic conditions. It is also known to undergo electrophilic substitution reactions under certain conditions.
7-Bromo-4-chlorothieno[3,2-d]pyrimidine is typically synthesized via a multi-step process involving the bromination of a thieno[3,2-d]pyrimidine intermediate. Key steps include the bromination of the thieno[3,2-d]pyrimidine with N-bromosuccinimide (NBS) in the presence of a radical initiator like AIBN. The yield can vary between 50-70%, depending on the purity of the starting materials and reaction conditions.
7-Bromo-4-chlorothieno[3,2-d]pyrimidine is primarily used in the pharmaceutical industry, where it serves as a key intermediate in the synthesis of various drugs. It is also of interest in the chemical and materials industry for its potential applications in polymer synthesis and as a functional material in sensor technology.
When handling 7-Bromo-4-chlorothieno[3,2-d]pyrimidine, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. In case of a spill, immediately clean up using appropriate absorbent materials and dispose of waste according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.

Safety Notice

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