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[(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxy late(CAS: 82547-81-7)

[(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxy
late
CAS Number

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Basic Information

Molecular Formula
C22H27N9O7S2
Molecular Weight
593.65 g/mol

Physical Properties

Melting Point
125-128°C
Density
1.3216 (rough estimate)

Chemical Identifiers

SMILES
CC1=NN(N=N1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)OCOC(=O)C(C)(C)C
InChIKey
UIYAXIPXULMHAI-BQYZVRGLSA-N

Database References

MDL Number
MFCD00941401

FAQ

The compound is a crystalline solid with a molecular weight of approximately 662.75 g/mol. It has a high solubility in organic solvents such as dimethyl sulfoxide (DMSO) and poor solubility in water. The compound is reactive towards nucleophiles and can undergo various chemical transformations, including ester formation and amidation. It is sensitive to moisture and may degrade under humid conditions.
The compound can be synthesized via a multi-step process involving the condensation of 2-(2-amino-1,3-thiazol-4-yl)acetic acid with 5-methyl-2H-tetrazole, followed by amidation and esterification. The synthesis typically requires mild to moderate conditions, with the use of appropriate catalysts and solvents to ensure high yield and selectivity.
This compound is primarily used in the pharmaceutical industry for drug development. It may also have applications in the production of novel polymers and sensors due to its specific chemical properties. Its use in semiconductors is less common but is explored for its potential in specific applications.
When handling this compound, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work must be carried out in a fume hood to minimize exposure. Spills should be cleaned up using appropriate chemicals, and the material safety data sheet (MSDS) should be consulted for detailed spill management procedures.

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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