185175

1-Benzyl-3-pyrrolidinone

98%

• Empirical Formula (Hill Notation): C₁₁H₁₃NO
• CAS Number: 775-16-6
• Molecular Weight: 175.23
• Beilstein: 1526217
• EC Number: 212-274-0
• MDL number: MFCD00005342
• UNSPSC Code: 12352100
• PubChem Substance ID: 24850673
• NACRES: NA.22

Properties

• Assay: 98%
• refractive index: n20/D 1.539 (lit.)
• bp: 77 °C/0.01 mmHg (lit.)
• density: 1.091 g/mL at 25 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: O=C1CCN(C1)Cc2ccccc2
• InChI: 1S/C11H13NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2
• InChI key: DHGMDHQNUNRMIN-UHFFFAOYSA-N

Description

General description

The equilibrium constant for the ketoreductase-catalyzed reduction reaction of 1-benzyl-3-pyrrolidinone has been measured in n-hexane. 1-Benzyl-3-pyrrolidinone on enzymatic asymmetric reduction yields enantiopure 1-benzyl-3-hydroxypyrrolidine, well known intermediate for various drugs.

Application

1-Benzyl-3-pyrrolidinone was used as starting reagent in the synthesis of vinyl triflate. It was used to prepare chiral, alkenyl sulfoximines leading to highly functionalized diazabicycles.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 230.0 °F - closed cup
• Flash Point(C): 110 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves