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[(3S)-6-({2',6'-Dimethyl-4'-[3-(methylsulfonyl)propoxy]-3-biphenylyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid(CAS: 1000413-72-8)

[(3S)-6-({2',6'-Dimethyl-4'-[3-(methylsulfonyl)propoxy]-3-biphenylyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CAS Number

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Basic Information

Molecular Formula
C29H32O7S
Molecular Weight
524.64 g/mol

Physical Properties

Boiling Point
739.1±60.0°C at 760 mmHg

Chemical Identifiers

SMILES
OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C
InChIKey
BZCALJIHZVNMGJ-HSZRJFAPSA-N

Database References

MDL Number
MFCD18251445

FAQ

This compound is a white or off-white crystalline solid with a molecular weight of approximately 539.57 g/mol. It is sparingly soluble in water and organic solvents such as methanol and acetonitrile. Chemically, it shows good stability under acidic and basic conditions. It exhibits moderate reactivity in nucleophilic substitution reactions and can be used in various organic synthesis processes.
This compound can be synthesized through a multistep synthesis involving the coupling of biphenyl derivatives with a methylsulfonyl propoxide, followed by esterification. Key reagents include triphenylphosphine and diethyl azodicarboxylate (DEAD) as catalysts. The yield typically ranges from 60% to 70%, with good selectivity and high purity.
This compound is used in the pharmaceutical industry for the development of novel drugs, particularly in anticancer and anti-inflammatory research. It also finds applications in polymer chemistry for the synthesis of advanced materials and in sensor technology for its unique spectroscopic properties.
When handling this compound, it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Use a fume hood during synthesis and handling to minimize exposure. Store the compound in a cool, dry place away from direct sunlight. In case of spill, clean up with appropriate absorbent material and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling 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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