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2-(2-Butyl-4-methyl-6-oxo-1-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,6-dihydro-5-pyrimidinyl)-N,N-dimethylethanethioamide(CAS: 247257-48-3)

2-(2-Butyl-4-methyl-6-oxo-1-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1,6-dihydro-5-pyrimidinyl)-N,N-dimethylethanethioamide
CAS Number

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Basic Information

Molecular Formula
C27H31N7OS
Molecular Weight
501.66 g/mol

Physical Properties

Boiling Point
693.0±65.0°C at 760 mmHg

Chemical Identifiers

SMILES
CCCCC1=NC(=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CC(=S)N(C)C)C
InChIKey
AMEROGPZOLAFBN-UHFFFAOYSA-N

Database References

MDL Number
MFCD13194795

FAQ

The compound has a crystalline form and a molecular weight of approximately 613.8 g/mol. It shows good solubility in organic solvents like DMSO and DMF, but is less soluble in water. Chemically, it is stable under normal conditions but can react with strong acids to form amines. It is sensitive to heat and moisture.
The compound is typically synthesized using a multistep process involving the coupling of pyrimidine derivatives with tetrazolyl biphenyl groups. This reaction is catalyzed by a palladium complex and requires the use of a base like triethylamine. The yield is around 70-80%, and the selectivity is excellent.
This compound is primarily used in the pharmaceutical industry for the development of new drugs due to its biological activity. It is also explored for its potential applications in polymers for its unique chemical properties and in sensors and semiconductors for its electronic characteristics.
When handling this compound, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a cool, dry place away from direct sunlight. Use a fume hood when performing reactions. In case of a spill, use appropriate containment and clean up with care. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

Email

3003355938@std-med.net

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