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5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[[2,3-dihydro-2-(2-hydroxyethyl)-3-imino-1H-pyrazol-1-yl]methyl]-8-oxo-, (6R,7R)-(CAS: 122841-10-5)

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[[2,3-dihydro-2-(2-hydroxyethyl)-3-imino-1H-pyrazol-1-yl]methyl]-8-oxo-, (6R,7R)-
CAS Number

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Basic Information

Molecular Formula
C19H22N8O6S2
Molecular Weight
522.56 g/mol
EINECS
1533716-785-6

Physical Properties

Boiling Point
°Cat760mmHg
Density
1.83±0.1 g/cm3(Predicted)
Flash Point
°Cat760mmHg

Chemical Identifiers

SMILES
OCCn1c(=N)ccn1CC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N\OC)/c1csc(n1)N
InChIKey
ZINFAXPQMLDEEJ-GFVOIPPFSA-N

Database References

MDL Number
MFCD00864846

FAQ

The compound has a crystalline form with a molecular weight of approximately 654.75 g/mol. It is poorly soluble in water but soluble in organic solvents. The compound is known for its reactivity in nucleophilic substitution and amide formation reactions. It also shows notable stability in acidic and basic conditions, which makes it suitable for various chemical transformations.
This compound is typically synthesized through multi-step organic reactions involving condensation, cyclization, and amide formation. Commonly used catalysts include Lewis acids and metal complexes. The synthesis involves high yield and good selectivity, making it a valuable intermediate in the synthesis of complex molecules.
This compound is primarily used in the pharmaceutical industry as an intermediate for the development of novel drugs. It also finds applications in the synthesis of certain polymers and sensors due to its unique chemical structure and reactivity.
When handling this compound, it is essential 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 incompatible substances. If a spill occurs, it should be handled according to the Safety Data Sheet (SDS) guidelines to ensure safety and prevent environmental contamination.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures