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N-(1,3-Benzodioxol-5-ylmethyl)-4-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1-piperazinecarbothioamide(CAS: 850879-09-3)

N-(1,3-Benzodioxol-5-ylmethyl)-4-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1-piperazinecarbothioamide
CAS Number

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Basic Information

Molecular Formula
C23H21N5O3S
Molecular Weight
447.52 g/mol

Physical Properties

Boiling Point
649.5±65.0°C at 760 mmHg
Density
1.443

Chemical Identifiers

SMILES
S=C(NCc1ccc2OCOc2c1)N3CCN(CC3)c4ncnc5c6ccccc6oc45
InChIKey
FOFDIMHVKGYHRU-UHFFFAOYSA-N

Database References

MDL Number
MFCD16038298

FAQ

N-(1,3-Benzodioxol-5-ylmethyl)-4-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1-piperazinecarbothioamide is a crystalline compound with a molecular weight of approximately 538.5 g/mol. It has a solubility of 1-2 g/L in water and is poorly soluble in organic solvents. The compound is less reactive under normal conditions but can undergo hydrolysis under basic conditions. It has a melting point of 190-192°C and is stable under normal storage conditions.
N-(1,3-Benzodioxol-5-ylmethyl)-4-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1-piperazinecarbothioamide is synthesized via multistep reactions. The key steps involve the preparation of benzodioxol derivative, followed by coupling with piperazinecarbothioamide. The synthesis typically employs catalytic amounts of a suitable coupling agent and proceeds with good yield (70-80%).
N-(1,3-Benzodioxol-5-ylmethyl)-4-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1-piperazinecarbothioamide is primarily used in the pharmaceutical industry for its potential as a therapeutic agent. It may also find applications in the development of sensors and semiconductors due to its unique chemical properties.
When handling N-(1,3-Benzodioxol-5-ylmethyl)-4-([1]benzofuro[3,2-d]pyrimidin-4-yl)-1-piperazinecarbothioamide, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up using appropriate absorbent materials. 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

Contact Information

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