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(3aR,7aS)-2-{4-[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]butyl}hexahydro-1H-isoindole-1,3(2H)-dione hydrochloride (1:1)(CAS: 129273-38-7)

(3aR,7aS)-2-{4-[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]butyl}hexahydro-1H-isoindole-1,3(2H)-dione hydrochloride (1:1)
CAS Number

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Basic Information

Molecular Formula
C23H31ClN4O2S
Molecular Weight
463.05 g/mol
Physical State
Powder

Physical Properties

Melting Point
95-970C

Chemical Identifiers

SMILES
C1CCC2C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54.Cl
InChIKey
HIZFAPMOZFYELI-GNXQHMNLSA-N

Database References

MDL Number
MFCD00890882

FAQ

The compound (3aR,7aS)-2-{4-[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]butyl}hexahydro-1H-isoindole-1,3(2H)-dione hydrochloride has a molecular weight of approximately 519.74 g/mol. It exists in a crystalline form and is highly soluble in water. The compound shows moderate reactivity with basic compounds and is stable under neutral to slightly acidic conditions. It is reactive towards nucleophiles and can undergo various chemical transformations.
(3aR,7aS)-2-{4-[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]butyl}hexahydro-1H-isoindole-1,3(2H)-dione hydrochloride can be synthesized by a multi-step process involving piperazine, benzothiazole, and 2-butylhexahydroisoindole. The synthesis typically requires the use of a catalyst such as triethylamine and proceeds under conditions of low to moderate temperature, with a yield of approximately 75-85%. The product is then isolated by crystallization and recrystallization to enhance its purity.
This compound is primarily used in the pharmaceutical industry for its potential as a therapeutic agent. It is also of interest in the polymer industry for its properties as a crosslinking agent and in the development of smart materials. Additionally, it may find applications in the sensor industry due to its reactivity and sensitivity to specific chemical environments.
When handling (3aR,7aS)-2-{4-[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]butyl}hexahydro-1H-isoindole-1,3(2H)-dione hydrochloride, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the use of a fume hood to minimize inhalation risk. Store the compound in a cool, dry place away from direct sunlight. In case of a spill, neutralize the acid with a basic compound and dispose of the waste in accordance with local regulations. Refer to the Safety Data Sheet (SDS) for further 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

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