Diphenylmethyl (6R,7R)-3-(chloromethyl)-7-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | CAS No. 112028-91-8

Diphenylmethyl (6R,7R)-3-(chloromethyl)-7-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Basic Information

CAS Number

112028-91-8

Molecular Formula

C26H27ClN2O5S

Molecular Weight

515.03 g/mol

AD

Basic Physical Properties

CC(C)(C)OC(=O)NC1C2N(C1=O)C(=C(CS2)CCl)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27ClN2O5S/c1-26(2,3)34-25(32)28-19-22(30)29-20(18(14-27)15-35-23(19)29)24(31)33-21(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19,21,23H,14-15H2,1-3H3,(H,28,32)/t19-,23-/m1/s1

InChIKey

SYRVNJKDYWWNHD-AUSIDOKSSA-N

LogP

4.620500000000004

Topological Polar Surface Area

84.94000000000001 Ų

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

827

Synonyms & References

English

  • C26H27ClN2O5S
  • AC-8825
  • benzhydryl 7beta-tert-butoxycarbonylamino-3-chloromethyl-3-cephem-4-carboxylate
  • benzhydryl (6R,7R)-3-(chloromethyl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • Diphenylmethyl (6R,7R)-7-[(tert-butoxycarbonyl)amino]-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • SYRVNJKDYWWNHD-AUSIDOKSSA-N
  • benzhydryl (6r,7r)-3-(chloromethyl)-7-((2-methylpropan-2-yl)oxycarbonylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • 112028-91-8
  • (6R,7R)-Benzhydryl 7-((tert-butoxycarbonyl)amino)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • DTXSID90471907
  • CID 11756232
  • (6R,7R)-Benzhydryl7-((tert-butoxycarbonyl)amino)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • benzhydryl 7beta-tert-butoxycarbonylamino-3-chloromethyl-3-cephem 4-carboxylate
  • A802471
  • SCHEMBL5148598
  • Diphenylmethyl 7beta-tert-butoxycarbonylamino-3-chloromethyl-3-cephem-4-carboxylate
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-(chloromethyl)-7-[[(1,1-dimethylethoxy)carbonyl]amino]-8-oxo-,diphenylmethyl ester,(6R,7R)-
  • AKOS015999169
  • 7β-tert-Butoxycarbonylamino-3-chloromethyl-3-cephem-4-carboxylate
  • (6R,7R)-3-(chloromethyl)-7-[[(1,1-dimethylethoxy)carbonyl]amino]-8-oxo-5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester
  • (6R,7R)-Benzhydryl 7-((tert-butoxycarbonyl)amino)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxyl...
  • DIPHENYLMETHYL 7BETA-TERT-BUTOXYCARBONYLAMINO-3-CHLOROMETHYL-3-CEPHEM-4-CARBOXYLATE
  • (6R-trans)-3-(chloromethyl)-7-{[(1,1-dimethylethoxy)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester
  • BOC-ACLH
  • 7β-tert-ButoxycarbonylaMino-3-chloroMethyl-3-cepheM- 4-carboxylate
  • (6R,7R)-3-(Chloromethyl)-7-[[(tert-butoxy)carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester

MDL Number

MFCD09750954

FAQ

What regulatory guidelines apply to Diphenylmethyl (6R,7R)-3-(chloromethyl)-7-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 112028-91-8)?

This compound requires adherence to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for classification and labeling. For manufacturing and importing purposes, it must comply with REACH regulations. FDA and EPA may also have specific requirements regarding its handling and environmental impact. Comprehensive safety data sheets (SDS) and compliant labeling are essential for regulatory compliance.

Are there alternatives to Diphenylmethyl (6R,7R)-3-(chloromethyl)-7-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 112028-91-8) in synthesis?

There are alternative reagents and isomers that can be used in synthesis. For instance, using 2-methyl-2-propanol as a starting material instead of its carbonyl derivative can lead to different synthetic pathways. Additionally, similar compounds with different functional groups can serve as viable alternatives, reducing the complexity and cost of synthesis.

What is the market or research trend for Diphenylmethyl (6R,7R)-3-(chloromethyl)-7-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 112028-91-8)?

The demand for this compound is driven by its applications in medicinal chemistry and pharmaceutical research. Market trends indicate increasing interest in developing new drugs and therapies. Research is focused on exploring its potential as an intermediate in drug synthesis and as a scaffold for novel pharmacological agents. Pricing trends suggest fluctuation based on supply-demand dynamics and production costs.

How should waste containing Diphenylmethyl (6R,7R)-3-(chloromethyl)-7-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 112028-91-8) be handled?

Waste containing this compound should be collected in appropriate containers, ensuring proper labeling and containment to prevent environmental contamination. Incineration is a common method for disposal, but professional waste disposal services should be sought to ensure compliance with local regulations. Environmental protection measures, such as neutralizing any hazardous components, should be implemented to minimize ecological impact.

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