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(2S,3R)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl glycinate hydrochloride (1:1)(CAS: 2611-61-2)

(2S,3R)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl glycinate hydrochloride (1:1)
CAS Number

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Basic Information

Molecular Formula
C14H19Cl3N2O6S
Molecular Weight
449.74 g/mol

Physical Properties

Melting Point
184-185°C

Chemical Identifiers

SMILES
CS(=O)(=O)C1=CC=C(C=C1)C(C(COC(=O)CN)NC(=O)C(Cl)Cl)O.Cl
InChIKey
DKXJDBJNAXSJDH-XOZOLZJESA-N

Database References

MDL Number
MFCD03093731

FAQ

The compound (2S,3R)-2-[(Dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl glycinate hydrochloride has a crystalline form with a molecular weight of approximately 442.4 g/mol. It exhibits poor solubility in water but good solubility in organic solvents. The compound is reactive towards nucleophiles and can undergo hydrolysis and substitution reactions. It has a melting point of around 160-163°C.
It is synthesized from 2-amino-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propionic acid and dichloroacetyl chloride, using a multi-step process involving esterification and amidation reactions. The reaction is typically catalyzed by a suitable base, and the product is isolated and purified by recrystallization or column chromatography.
This compound is used in the pharmaceutical industry for the synthesis of certain drugs. It can also be used in the production of sensors and as an intermediate in the development of new materials. Due to its structural complexity, it may have applications in the field of organic electronics and as a chemical reagent for analytical purposes.
Proper personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize exposure to inhalation. Spills should be immediately cleaned up using appropriate absorbent materials, followed by rinsing the affected area with water. Safety data sheets (SDS) should be consulted for detailed handling and disposal 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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