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O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl phosphorothioate(CAS: 29232-93-7)

O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl phosphorothioate
CAS Number

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Basic Information

Molecular Formula
C11H20N3O3PS
Molecular Weight
305.34 g/mol

Physical Properties

Melting Point
15 ºC
Boiling Point
386.5 °C at 760 mmHg
Flash Point
-18 °C

Chemical Identifiers

SMILES
CCN(CC)C1=NC(OP(=S)(OC)OC)=CC(C)=N1
InChIKey
QHOQHJPRIBSPCY-UHFFFAOYSA-N

Database References

MDL Number
MFCD00055366

FAQ

The compound has a crystalline form with a molecular weight of approximately 428.59 g/mol. It is poorly soluble in water but soluble in common organic solvents like ethanol and acetone. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions. It has a melting point of around 165°C and is stable at room temperature but requires protection from moisture and air to prevent degradation.
The compound is typically synthesized via the phosphorothioylation of a dimethyl pyrimidine derivative using diethylamine. The reaction involves the use of a base like triethylamine and is carried out in an appropriate organic solvent. The selectivity and yield are high, with the product isolated by column chromatography and further purified by recrystallization.
This compound is primarily used in the pharmaceutical industry as an intermediate in the synthesis of drugs. It is also found in the agricultural sector as a pesticide component. Additionally, it has applications in the polymer industry for enhancing certain properties of polymers and in sensor technology for detection purposes.
When handling this compound, it is essential to use 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 to prevent inhalation or skin contact. Spills should be cleaned up immediately with appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

Safety Notice

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

Always follow proper handling procedures

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