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Benzyl D-alaninate 4-methylbenzenesulfonate (1:1)(CAS: 41036-32-2)

Benzyl D-alaninate 4-methylbenzenesulfonate (1:1)
CAS Number

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Basic Information

Molecular Formula
C17H21NO5S
Molecular Weight
351.42 g/mol

Physical Properties

Melting Point
113.0 to 117.0 deg-C
Boiling Point
256.5°C at 760 mmHg
Density
1.0800
Flash Point
119.6 °C

Chemical Identifiers

SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CC(C(=O)OCC1=CC=CC=C1)N
InChIKey
NWOPHJSSBMABBD-DDWIOCJRSA-N

Database References

MDL Number
MFCD00039092

FAQ

Benzyl D-alaninate 4-methylbenzenesulfonate is a crystalline compound with a molecular weight of approximately 383.47 g/mol. It has a high solubility in water and organic solvents. Chemically, it exhibits basic properties due to the amine group and is reactive towards acid and base conditions. It crystallizes in the monoclinic system and shows good stability under normal conditions.
Benzyl D-alaninate 4-methylbenzenesulfonate is typically synthesized by the condensation of benzyl D-alanine with 4-methylbenzenesulfonyl chloride in the presence of a base such as triethylamine. This reaction is highly selective and yields a product with a purity of around 98%. The reaction is conducted at room temperature and requires careful control of pH and temperature to achieve high yield.
Benzyl D-alaninate 4-methylbenzenesulfonate is used in various industries, particularly in pharmaceuticals, where it serves as a precursor for the synthesis of certain drugs. It is also utilized in the polymer industry for enhancing the properties of polymers, and in the sensor industry for its reactivity towards specific chemical reactions.
When handling Benzyl D-alaninate 4-methylbenzenesulfonate, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spills, they should be cleaned up immediately using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.

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

Contact Person

Tuyu Tangmengting

Email

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