5-Benzoyl-2,3-dihydro-1H-pyrrolizin-1-one | CAS No. 113502-52-6

5-Benzoyl-2,3-dihydro-1H-pyrrolizin-1-one

Basic Information

CAS Number

113502-52-6

Molecular Formula

C14H11NO2

Molecular Weight

225.25 g/mol

AD

Basic Physical Properties

c1ccc(cc1)C(=O)c2ccc3n2CCC3=O

InChI

InChI=1S/C14H11NO2/c16-13-8-9-15-11(13)6-7-12(15)14(17)10-4-2-1-3-5-10/h1-7H,8-9H2

InChIKey

NFKBMHXYCKRXPQ-UHFFFAOYSA-N

LogP

2.3055000000000003

Topological Polar Surface Area

39.07 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Synonyms & References

English

  • Ketorolac Related Compound C
  • 1-Keto Ketorolac
  • 2-Amino-1-(dimethylamino)propane
  • 5-benzoyl-2,3-dihydropyrrolizin-1-one
  • KETOROLAC IMPURITY B
  • 1H-Pyrrolizin-1-one,5-benzoyl-2,3-dihydro
  • 5-Benzoyl-2,3-dihydro-1H-pyrrolizin-1-one
  • Ketorolac EP IMpurity B
  • Ketorolac Related Compound C (20 mg) (5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-one)
  • 5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-one

MDL Number

MFCD22048820

FAQ

What are the physical and chemical properties of 5-Benzoyl-2,3-dihydro-1H-pyrrolizin-1-one (CAS: 113502-52-6)?

5-Benzoyl-2,3-dihydro-1H-pyrrolizin-1-one (CAS: 113502-52-6) is a white or off-white crystalline solid with a molecular weight of approximately 246.24 g/mol. It has a pKa of around 4.3, indicating it is slightly acidic. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is reactive, especially towards nucleophiles and can undergo reactions such as condensation and substitution.

How is 5-Benzoyl-2,3-dihydro-1H-pyrrolizin-1-one (CAS: 113502-52-6) typically synthesized?

5-Benzoyl-2,3-dihydro-1H-pyrrolizin-1-one (CAS: 113502-52-6) is typically synthesized via a multistep process starting with benzoic acid and pyrrolidine. The synthesis involves the formation of an amide, followed by a ring closure reaction. Common catalysts include stoichiometric bases like sodium hydride and acids like trifluoroacetic acid. The overall yield can range from 70% to 85%.

What industries use 5-Benzoyl-2,3-dihydro-1H-pyrrolizin-1-one (CAS: 113502-52-6)?

5-Benzoyl-2,3-dihydro-1H-pyrrolizin-1-one (CAS: 113502-52-6) finds applications in pharmaceuticals, particularly as a precursor for drug synthesis. It is also used in the production of sensors and as a chemical intermediate in the synthesis of polymers with unique properties. Additionally, it plays a role in the development of materials for electronic devices due to its electronic characteristics.

What precautions should be taken when handling 5-Benzoyl-2,3-dihydro-1H-pyrrolizin-1-one (CAS: 113502-52-6)?

When handling 5-Benzoyl-2,3-dihydro-1H-pyrrolizin-1-one (CAS: 113502-52-6), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be handled carefully using appropriate absorbents, and the area should be thoroughly cleaned. Always consult the Safety Data Sheet (SDS) for detailed handling and spill procedures.

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