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3-{2-[4-(2-Methylphenyl)-1-piperazinyl]ethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine(CAS: 72822-12-9)

3-{2-[4-(2-Methylphenyl)-1-piperazinyl]ethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CAS Number

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Basic Information

Molecular Formula
C19H27N5
Molecular Weight
325.46 g/mol

Physical Properties

Melting Point
158-160°
Boiling Point
538.9 oC at 760 mmHg
Density
1.22
Flash Point
279.7 oC

Chemical Identifiers

SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC3=NN=C4N3CCCC4
InChIKey
RFWZESUMWJKKRN-UHFFFAOYSA-N

Database References

MDL Number
MFCD00865637

FAQ

3-{2-[4-(2-Methylphenyl)-1-piperazinyl]ethyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine is a crystalline solid with a molecular weight of approximately 389.4 g/mol. It has a low solubility in water but is soluble in organic solvents like dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). This compound is relatively stable under normal conditions but reacts with strong acids and bases. It is an electron-donating molecule with potential for nucleophilic substitution reactions.
This compound is synthesized via a multistep process involving the condensation of an amine with an azide, followed by a ring expansion and substitution reaction. The synthesis typically requires the use of triphenylphosphine as a catalyst, and the overall yield is moderate to good. Care should be taken to minimize exposure to moisture and to use appropriate protective measures during the reaction.
This compound finds applications in the pharmaceutical industry for its potential as an intermediate in the synthesis of bioactive molecules. It is also utilized in the development of sensors and as a component in certain polymer formulations for its electronic properties. Due to its chemical structure, it is less commonly used in the semiconductor industry but has potential in specific applications.
Proper handling of this compound requires the use of personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. It should be stored in a cool, dry place away from moisture and heat sources. Fume hoods should be used during preparation and manipulation. In case of a spill, it should be carefully cleaned up using appropriate absorbent materials, and the area should be thoroughly 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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