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(1R,8R)-7,7-Dichloro-11,11-dimethyl-5-oxa-3-thia-4-azatetracyclo[6.2.1.0~1,6~.0~4,6~]undecane 3,3-dioxide(CAS: 139628-16-3)

(1R,8R)-7,7-Dichloro-11,11-dimethyl-5-oxa-3-thia-4-azatetracyclo[6.2.1.0~1,6~.0~4,6~]undecane 3,3-dioxide
CAS Number

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Basic Information

Molecular Formula
C10H13Cl2NO3S
Molecular Weight
298.19 g/mol

Physical Properties

Melting Point
181-186 °C
Boiling Point
390.5±52.0 °C at 760 mmHg
Density
1.68±0.1 g/cm3 (20 ºC 760 Torr),
Flash Point
189.9±30.7 °C

Chemical Identifiers

SMILES
CC1(C2CCC13CS(=O)(=O)N4C3(C2(Cl)Cl)O4)C
InChIKey
HAMBQYFZDBYWHU-VUKVJFTISA-N

Database References

MDL Number
MFCD17214220

FAQ

The compound is a crystalline solid with a molecular weight of approximately 366.04 g/mol. Its solubility in water is low, with limited data available. It exhibits high reactivity towards nucleophiles and can undergo ring-opening reactions. The compound is also susceptible to hydrolysis in the presence of moisture and acidic or basic conditions.
The compound is synthesized through a multi-step process that involves organocatalytic reactions, typically using organocatalysts such as imidazolium salts. The synthesis involves the formation of an intermediate, followed by ring closure and oxidation steps. The overall yield is moderate, with selectivity towards the desired stereochemistry being a key challenge.
This compound is primarily used in the pharmaceutical industry for the development of novel drugs due to its unique chemical structure. It may also have applications in the polymer industry for the synthesis of special polymers with specific properties, and in the chemical sensor industry for the development of sensors with enhanced selectivity towards specific analytes.
Handling this compound requires the use of appropriate personal protective equipment (PPE) such as gloves, 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 synthesis and handling to minimize exposure to vapors. In case of a spill, it is essential to clean up using appropriate materials and follow safety data sheet (SDS) guidelines for disposal.

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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