Tert-butyl (2-oxo-3-(pyridin-4-yl)propyl)carbamate | CAS No. 885269-81-8

Tert-butyl (2-oxo-3-(pyridin-4-yl)propyl)carbamate

Basic Information

CAS Number

885269-81-8

Molecular Formula

C13H18N2O3

Molecular Weight

250.3 g/mol

AD

Basic Physical Properties

CC(C)(C)OC(=O)NCC(=O)CC1=CC=NC=C1

InChI

InChI=1S/C13H18N2O3/c1-13(2,3)18-12(17)15-9-11(16)8-10-4-6-14-7-5-10/h4-7H,8-9H2,1-3H3,(H,15,17)

InChIKey

DWNYQYHSIULYCR-UHFFFAOYSA-N

LogP

1.7179

Topological Polar Surface Area

68.28999999999999 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

291

Synonyms & References

English

  • Carbamic acid,[2-oxo-3-(4-pyridinyl)propyl]-, 1,1-dimethylethyl ester (9CI)
  • (2-OXO-3-PYRIDIN-4-YL-PROPYL)CARBAMIC ACID TERT-BUTYL ESTER,
  • tert-butyl N-(2-oxo-3-pyridin-4-ylpropyl)carbamate
  • 1-(Boc-amino)-3-pyridin-4-yl-propan-2-one
  • (2-Oxo-3-pyridin-4-yl-propyl)carbamic acid tert-butyl ester
  • (2-Oxo-3-pyridin-4-yl-propyl)carbamic acid t-butyl ester
  • (2-OXO-3-PYRIDIN-4-YL-PROPYL)-CARBAMIC ACID TERT-BUTYL ESTER
  • F9995-1831
  • tert-Butyl [2-oxo-3-(pyridin-4-yl)propyl]carbamate
  • AKOS024258378
  • EN300-797431
  • tert-butyl N-[2-oxo-3-(pyridin-4-yl)propyl]carbamate
  • DTXSID30652399
  • 1-(BOC-AMINO)-3-PYRIDIN-4-YL-PROPAN-2-ONE
  • tert-butyl(2-oxo-3-(pyridin-4-yl)propyl)carbamate
  • VU0549474-1
  • MFCD04114387
  • AB18209
  • 885269-81-8
  • tert-butyl (2-oxo-3-(pyridin-4-yl)propyl)carbamate
  • G84997
  • CS-0273209

MDL Number

MFCD04114387

Customs Code

2933399090

FAQ

What are the physical and chemical properties of Tert-butyl (2-oxo-3-(pyridin-4-yl)propyl)carbamate (CAS: 885269-81-8)?

Tert-butyl (2-oxo-3-(pyridin-4-yl)propyl)carbamate has a crystalline form with a molecular weight of approximately 327.36 g/mol. It is slightly soluble in water but soluble in common organic solvents like ethanol and acetone. The compound exhibits moderate reactivity, particularly towards nucleophiles. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is Tert-butyl (2-oxo-3-(pyridin-4-yl)propyl)carbamate (CAS: 885269-81-8) typically synthesized?

Tert-butyl (2-oxo-3-(pyridin-4-yl)propyl)carbamate is typically synthesized through a multistep procedure involving the reaction of tert-butyl isothiocyanate and 2-oxo-3-(pyridin-4-yl)propylamine. The synthesis involves the use of acetic anhydride as a solvent and typically yields around 70-80% of the desired product. The reaction is monitored by TLC or HPLC to ensure selectivity and purity.

What industries use Tert-butyl (2-oxo-3-(pyridin-4-yl)propyl)carbamate (CAS: 885269-81-8)?

Tert-butyl (2-oxo-3-(pyridin-4-yl)propyl)carbamate is primarily used in the pharmaceutical industry as a synthetic intermediate in the production of various therapeutic agents. It also finds applications in the polymer industry for the development of novel materials. Additionally, it can be used in sensor and semiconductor manufacturing due to its chemical reactivity and stability.

What precautions should be taken when handling Tert-butyl (2-oxo-3-(pyridin-4-yl)propyl)carbamate (CAS: 885269-81-8)?

When handling Tert-butyl (2-oxo-3-(pyridin-4-yl)propyl)carbamate, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up carefully using appropriate absorbents, and the area should be thoroughly washed down. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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