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4-Nitrobenzyl (2S,4S)-4-(acetylsulfanyl)-2-{[{[(2-methyl-2-propanyl)oxy]carbonyl}(sulfamoyl)amino]methyl}-1-pyrrolidinecarboxylate(CAS: 491878-06-9)

4-Nitrobenzyl (2S,4S)-4-(acetylsulfanyl)-2-{[{[(2-methyl-2-propanyl)oxy]carbonyl}(sulfamoyl)amino]methyl}-1-pyrrolidinecarboxylate
CAS Number

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Basic Information

Molecular Formula
C20H28N4O9S2
Molecular Weight
532.6 g/mol

Physical Properties

Melting Point
124-132 ºC
Boiling Point
686.8°C at 760 mmHg

Chemical Identifiers

SMILES
CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CN(C(=O)OC(C)(C)C)S(=O)(=O)N
InChIKey
JECWBBGYVBPHIH-IRXDYDNUSA-N

Database References

MDL Number
MFCD14635210

FAQ

This compound is a crystalline solid with a molecular weight of approximately 630.56 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and dichloromethane. The compound is known for its reactivity, particularly towards nucleophiles and reducing agents. It exhibits a high pKa value, indicating a weak acid character.
This compound is typically synthesized via a multi-step process involving acylation, sulfenylation, and amidation reactions. Key steps include the protection of the pyrrolidine hydroxyl group, followed by the introduction of the acetyl group and sulfanyl group, and finally the addition of the amidine moiety. This synthesis requires careful control of reaction conditions and the use of appropriate protecting groups.
This compound is used in a variety of industries, particularly in pharmaceuticals and chemical research. It serves as a key intermediate in the synthesis of complex molecules and can be found in applications related to polymers, sensors, and semiconductors. Its unique chemical structure makes it valuable for targeted drug delivery and as a reagent in bioconjugation reactions.
Proper handling of this compound requires the use of personal protective equipment (PPE) including gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, handle it in a well-ventilated area with a fume hood, and use appropriate cleanup materials. Always refer to the Safety Data Sheet (SDS) 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

Contact Information

Contact Person

Li Qian

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