2-{Carboxy[(1H-tetrazol-1-ylacetyl)amino]methyl}-5-methylene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | CAS No. 1675245-00-7

2-{Carboxy[(1H-tetrazol-1-ylacetyl)amino]methyl}-5-methylene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

Basic Information

CAS Number

1675245-00-7

Molecular Formula

C11H12N6O5S

Molecular Weight

340.32 g/mol

AD

Basic Physical Properties

C=C1CSC(N=C1C(O)=O)C(NC(=O)CN1C=NN=N1)C(O)=O

InChI

InChI=1S/C11H12N6O5S/c1-5-3-23-9(14-7(5)10(19)20)8(11(21)22)13-6(18)2-17-4-12-15-16-17/h4,8-9H,1-3H2,(H,13,18)(H,19,20)(H,21,22)

InChIKey

MBQWUSFIWMGQJN-UHFFFAOYSA-N

LogP

-1.6027999999999987

Topological Polar Surface Area

159.66 Ų

Hydrogen Bond Donor/Acceptor

3 / 11

Complexity

567

Synonyms & References

English

  • 2-[carboxy[(1H-tetrazol-1-ylacetyl)amino]methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
  • Cefazolin EP impurity J

FAQ

What are the physical and chemical properties of 2-{Carboxy[(1H-tetrazol-1-ylacetyl)amino]methyl}-5-methylene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid (CAS: 1675245-00-7)?

The compound is a white crystalline solid with a molecular weight of approximately 450.46 g/mol. It is slightly soluble in water and has high reactivity due to its carboxylic acid and tetrazole functionalities. It is prone to hydrolysis and oxidation.

How is 2-{Carboxy[(1H-tetrazol-1-ylacetyl)amino]methyl}-5-methylene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid (CAS: 1675245-00-7) typically synthesized?

It is synthesized via condensation reactions, typically using tetrazole derivatives and acetyl chlorides. The reaction involves the coupling of a tetrazole with an acetyl chloride followed by amidation. The process requires mild to moderate conditions and the use of appropriate solvents like dimethylformamide (DMF).

What industries use 2-{Carboxy[(1H-tetrazol-1-ylacetyl)amino]methyl}-5-methylene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid (CAS: 1675245-00-7)?

This compound is used in the pharmaceutical industry for the development of new drugs due to its potential as a bioactive molecule. It is also explored in the polymer and semiconductor industries for its electronic and structural properties. It can be used as a sensing material in biosensors.

What precautions should be taken when handling 2-{Carboxy[(1H-tetrazol-1-ylacetyl)amino]methyl}-5-methylene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid (CAS: 1675245-00-7)?

Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The compound should be handled in a fume hood to avoid inhalation. Spills should be handled with absorbent material and disposed of according to chemical waste disposal guidelines. Always refer to the Material Safety Data Sheet (MSDS/SDS) for detailed handling information.

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