Methyl 3-(benzyloxy)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-1,4-dihydro-2-pyridinecarboxylate | CAS No. 2136287-59-5

Methyl 3-(benzyloxy)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-1,4-dihydro-2-pyridinecarboxylate

Basic Information

CAS Number

2136287-59-5

Molecular Formula

C19H22N2O6

Molecular Weight

374.39 g/mol

AD

Basic Physical Properties

Density

1.27±0.1 g/cm3(Predicted)

COC(=O)C1=C(OCC2C=CC=CC=2)C(=O)C=CN1NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H22N2O6/c1-19(2,3)27-18(24)20-21-11-10-14(22)16(15(21)17(23)25-4)26-12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3,(H,20,24)

InChIKey

BZFFGGJUFFRTON-UHFFFAOYSA-N

LogP

2.692500000000001

pKa

7.18±0.60(Predicted)

Topological Polar Surface Area

95.86 Ų

Hydrogen Bond Donor/Acceptor

1 / 8

Complexity

641

Synonyms & References

English

  • Methyl 3-(benzyloxy)-1-((tert-butoxycarbonyl)amino)-4-oxo-1,4-dihydropyridine-2-carboxylate
  • methyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate
  • 3-Benzyloxy-1-Boc-amino-4-oxo-1,4-dihydro-pyridine-2-carboxylic acid methyl ester
  • 1-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-Pyridinecarboxylic acid methyl ester
  • 2-Pyridinecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-dihydro-4-oxo-3-(phenylmethoxy)-, methyl ester
  • Mabaloxavir intermediate
  • 3-(benzyloxy)-1-((tert-butoxycarbonyl)amino)-4-oxo-1,4-dihydropyridine-2-carboxylate
  • methyl 3-benzyloxy-1-(tert-butoxycarbonylamino)-4-oxo-pyridine-2-carboxylate

MDL Number

MFCD32670956

FAQ

What are the physical and chemical properties of Methyl 3-(benzyloxy)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-1,4-dihydro-2-pyridinecarboxylate (CAS: 2136287-59-5)?

Methyl 3-(benzyloxy)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-1,4-dihydro-2-pyridinecarboxylate is a solid with a molecular weight of approximately 446.5 g/mol. It has a high crystalline form and good solubility in organic solvents such as dimethylformamide (DMF) and ethanol. Reactivity is moderate, and it is stable under normal conditions but requires appropriate handling to avoid decomposition or interaction with strong bases or acids.

How is Methyl 3-(benzyloxy)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-1,4-dihydro-2-pyridinecarboxylate (CAS: 2136287-59-5) typically synthesized?

Methyl 3-(benzyloxy)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-1,4-dihydro-2-pyridinecarboxylate is synthesized via a multi-step process, typically involving the condensation of a benzyloxy compound with a 2-methyl-2-propanol derivative. The reaction is catalyzed by a suitable acid, and the yield is around 80% with good selectivity. The exact conditions and reagents can vary based on the specific synthetic route chosen.

What industries use Methyl 3-(benzyloxy)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-1,4-dihydro-2-pyridinecarboxylate (CAS: 2136287-59-5)?

Methyl 3-(benzyloxy)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-1,4-dihydro-2-pyridinecarboxylate is used primarily in the pharmaceutical industry due to its structural complexity and potential as a medicinal compound. It may also find applications in the development of sensors and semiconductors, although specific uses in these industries are limited and under research.

What precautions should be taken when handling Methyl 3-(benzyloxy)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-1,4-dihydro-2-pyridinecarboxylate (CAS: 2136287-59-5)?

When handling Methyl 3-(benzyloxy)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxo-1,4-dihydro-2-pyridinecarboxylate, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated area, preferably in a fume hood. Spills should be handled with caution using appropriate absorbents and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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