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[(1R,5S,6S)-6-(Aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl]acetic acid benzenesulfonate (1:1)(CAS: 1138245-21-2)

[(1R,5S,6S)-6-(Aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl]acetic acid benzenesulfonate (1:1)
CAS Number

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Basic Information

Molecular Formula
C18H25NO5S
Molecular Weight
367.47 g/mol

Chemical Identifiers

SMILES
CCC1=C[C@@H]2[C@H](C1)C[C@@]2(CC(=O)O)CN.c1ccc(cc1)S(=O)(=O)O
InChIKey
OKJXJRVWXYRSAN-TXULWXBWSA-N

Database References

MDL Number
MFCD31631215

FAQ

The compound [(1R,5S,6S)-6-(Aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl]acetic acid benzenesulfonate is a white crystalline solid with a molecular weight of approximately 411.35 g/mol. It has a pKa around 4.2 and is moderately soluble in water. The compound is reactive towards nucleophiles and can undergo substitution reactions. It also shows moderate stability under normal conditions but should be stored in a cool, dry place away from direct sunlight.
This compound is typically synthesized via a multi-step process involving the condensation of an ethyl bicycloheptene derivative with benzenesulfonyl chloride followed by the addition of an amine. The synthesis involves the use of Lewis acids as catalysts, and the product is isolated by crystallization. The process requires careful control of reaction temperature and pH to achieve high yields and selectivity.
This compound is primarily used in the pharmaceutical industry as a potential intermediate in drug synthesis. It may also find applications in the polymer industry for its reactive properties and in the development of new materials. Its unique structure could be explored in the sensor and semiconductor industries for its potential in sensor applications due to its chemical reactivity.
When handling this compound, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The material should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. In the event of a spill, it should be cleaned up using appropriate absorbent materials and the area should be thoroughly washed down. Refer to the Safety Data Sheet (SDS) for detailed instructions on safe handling and disposal.

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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