4-Nitrobenzyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(2-{[({[(4-nitrobenzyl)oxy]carbonyl}amino)methylene]amino}ethyl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | CAS No. 98367-45-4

4-Nitrobenzyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(2-{[({[(4-nitrobenzyl)oxy]carbonyl}amino)methylene]amino}ethyl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Basic Information

CAS Number

98367-45-4

Molecular Formula

C27H27N5O10S

Molecular Weight

613.6 g/mol

AD

Basic Physical Properties

Density

1.53±0.1 g/cm3(Predicted)

C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCc3ccc(cc3)[N+](=O)[O-])SCCN=CNC(=O)OCc4ccc(cc4)[N+](=O)[O-])O

InChI

InChI=1S/C27H27N5O10S/c1-16(33)23-21-12-22(24(30(21)25(23)34)26(35)41-13-17-2-6-19(7-3-17)31(37)38)43-11-10-28-15-29-27(36)42-14-18-4-8-20(9-5-18)32(39)40/h2-9,15-16,21,23,33H,10-14H2,1H3,(H,28,29,36)/t16-,21-,23-/m1/s1

InChIKey

SELONUMJDJVVJG-FQQGMQMYSA-N

LogP

4.43240

pKa

9.43±0.46(Predicted)

Complexity

1130

Synonyms & References

English

  • protected imipenem
  • (5R,6S)-4-Nitrobenzyl-3-[[2-[[[[[(4-nitrophenyl)methoxy]carbonyl]amino]methylene]amino]ethyl]thio]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3,2,0]hept-2-ene-2-carboxylate
  • BIS PROTECTED IMIPENEM
  • (4R,5S,6S)-4-NITROBENZYL-3-[[(3S,5S)-5-[(DIMETHYLAMINO)CARBONYL]-1-[[(4-NITROBENZYL)OXY] CARBONYL]-3-PYRROLIDINYL]THIO]-6-[(1R)-1-HYDROXYETHYL]-4-METHYL-7-OXO-1-AZABICYCLO[3,2,0] HEPT-2-ENE-2-CARBOXYLATE
  • [5R-α,6α(R*)]]- 6-(1-hydroxyethyl)-3-[[2-[[[[[(4-nitrophenyl)Methoxy]carbonyl]aMino]Methylene]aMino]
  • 6-(1-hydroxyethyl)-3-[2-[[[(4-nitrophenyl)methoxy-oxomethyl]amino]methylideneamino]ethylthio]-4-[(4-nitrophenyl)methyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
  • Protected Imipenem USP/EP/BP
  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-3-[[2-[[[[[(4-nitrophenyl)methoxy]carbonyl]amino]methylene]amino]ethyl]thio]-7-oxo-, (4-nitrophenyl)methyl ester, (5R,6S)-
  • Protected Imipenem
  • (4R,5S,6S)-4-NITROBENZYL-3-[[2-[[[[[(4-NITROPHENYL)METHOXY]CARBONYL]AMINO] METHYLENE] AMINO]ETHYL]THIO]-6- [(1R)-1-HYDR...
  • 6-(1-hydroxyethyl)-3-[2-[[(4-nitrophenyl)methoxycarbonylamino]methylideneamino]ethylsulfanyl]-4-[(4-nitrophenyl)methyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

FAQ

What regulatory guidelines apply to 4-Nitrobenzyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(2-{[({[(4-nitrobenzyl)oxy]carbonyl}amino)methylene]amino}ethyl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (CAS: 98367-45-4)?

This compound is subject to the EU REACH regulations for chemical substances, requiring manufacturers and importers to register their chemical substances. Additionally, it may fall under the category of a hazardous substance under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), necessitating specific labeling and safety data sheets. In the United States, the FDA and EPA may also require additional reporting and compliance with specific regulations regarding the use and handling of this compound.

Are there alternatives to 4-Nitrobenzyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(2-{[({[(4-nitrobenzyl)oxy]carbonyl}amino)methylene]amino}ethyl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (CAS: 98367-45-4) in synthesis?

Alternatives to this compound in synthesis include using similar structurally analogous derivatives or isomers. Common reagents that may be used as substitutes include other carboxylic acids, amines, or sulfides with similar functional groups. However, the choice of alternative will depend on the specific reaction conditions and desired product characteristics.

What is the market or research trend for 4-Nitrobenzyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(2-{[({[(4-nitrobenzyl)oxy]carbonyl}amino)methylene]amino}ethyl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (CAS: 98367-45-4)?

Research trends in the market for this compound are likely focused on its potential applications in pharmaceuticals, as it contains several functional groups that could be useful in drug development. Additionally, there may be interest in its use as a precursor in organic synthesis for creating complex molecules. Market trends suggest increasing demand for such specialized intermediates in the chemical industry.

How should waste containing 4-Nitrobenzyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(2-{[({[(4-nitrobenzyl)oxy]carbonyl}amino)methylene]amino}ethyl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (CAS: 98367-45-4) be handled?

Waste containing this compound should be collected and handled according to the guidelines specified by the local environmental protection agency. It may be necessary to neutralize the waste before disposal to minimize environmental impact. Professional waste disposal services should be used to ensure compliance with regulations. Environmental protection precautions, such as proper containment and disposal methods, are essential to prevent contamination and ensure safety.

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