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(3S)-6,7-Dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one(CAS: 128-62-1)

(3S)-6,7-Dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one
CAS Number

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Basic Information

Molecular Formula
C22H23NO7
Molecular Weight
413.43 g/mol

Physical Properties

Melting Point
174-176 ºC
Boiling Point
532.6°C (rough estimate)

Chemical Identifiers

SMILES
CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3
InChIKey
AKNNEGZIBPJZJG-MSOLQXFVSA-N

Database References

MDL Number
MFCD00069316

FAQ

The compound has a crystalline form and a molecular weight of approximately 448.5 g/mol. It is moderately soluble in common organic solvents like DMF and DMSO. Chemically, it is reactive towards nucleophiles and can undergo substitution and conjugate addition reactions. It has good stability under acidic and neutral conditions but should be handled under an inert atmosphere to prevent oxidation.
The compound is typically synthesized via a multistep sequence involving a condensation reaction followed by a ring closure. Key catalysts include Lewis acids like AlCl3, and the overall yield is around 70%. The synthesis involves careful control of temperature and reaction time to achieve the desired stereochemistry and selectivity.
This compound is primarily used in the pharmaceutical industry for developing new drugs and in the chemical industry for specialty applications. It is also used in sensors and as a precursor for organic electronic materials in the semiconductor industry.
When handling this compound, use appropriate personal protective equipment (PPE) such as gloves, lab coat, and safety goggles. Handle it in a fume hood to prevent inhalation. In case of a spill, follow the guidelines in the Safety Data Sheet (SDS) for cleaning up and disposing of the material safely. Ensure adequate ventilation and avoid contact with skin and eyes.

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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Mr. Zhai

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