iodomethyl (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide | CAS No. 76247-39-7

iodomethyl (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide

Basic Information

CAS Number

76247-39-7

Molecular Formula

C9H12INO5S

Molecular Weight

373.17 g/mol

AD

Basic Physical Properties

CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)OCI)C

InChI

InChI=1S/C9H12INO5S/c1-9(2)7(8(13)16-4-10)11-5(12)3-6(11)17(9,14)15/h6-7H,3-4H2,1-2H3/t6-,7+/m1/s1

InChIKey

OLTVXWRKDHZFFR-RQJHMYQMSA-N

LogP

0.05609999999999982

Topological Polar Surface Area

80.75000000000001 Ų

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

480

Synonyms & References

English

  • NS00037768
  • DTXSID00227114
  • 76247-39-7
  • Iodomethylsulbactam (Iodomethyl (2S,5R)-3,3-Dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-Dioxide)
  • iodomethyl (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • EINECS 278-400-1
  • IodomethylS,S-dioxopenicillanate
  • SCHEMBL9850507
  • Iodomethyl S,S-dioxopenicillanate
  • Iodomethyl (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate 4,4-dioxide
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-, iodomethyl ester, 4,4-dioxide, (2S,5R)-
  • iodomethyl (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4λ<sup>6</sup>-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • IODOMETHYL (2S-CIS)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE 4,4-DIOXIDE
  • iodomethyl 1,1-dioxopenicillanate
  • iodomethyl 4,4-dioxopenicillanate
  • Iodomethyl Penicillanate 1,1-Dioxide

MDL Number

MFCD09031292

FAQ

What regulatory guidelines apply to iodomethyl (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide (CAS: 76247-39-7)?

This compound is subject to classification and labeling under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) and requires compliance with REACH regulations in the European Union. FDA and EPA may also have specific requirements for its handling, storage, and disposal based on its properties.

Are there alternatives to iodomethyl (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide in synthesis?

Alternatives include similar reagents such as iodomethyl ketones or other iodinated compounds. For specific applications, isomers or analogs like (2R,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide can be considered as substitutes.

What is the market or research trend for iodomethyl (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide?

The market trend for this compound reflects increasing interest in novel iodine-containing compounds for various applications in pharmaceuticals and materials science. Research is focusing on its potential in drug development and as a functional material.

How should waste containing iodomethyl (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide be handled?

Waste containing this compound should be collected in appropriate containers and disposed of through professional chemical waste disposal services. Incineration is a common method, but specific precautions should be taken to ensure environmental safety during the process.

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