1-Benzyl-3-pyrrolidinone

CAS NO.：775-16-6
Empirical Formula: C11H13NO
Molecular Weight: 175.23
MDL number: MFCD00005342
EINECS: 212-274-0
SAFETY DATA SHEET (SDS)
Update Date: 2023-12-20 20:39:53

What is 1-Benzyl-3-pyrrolidinone?

Chemical properties

clear yellow liquid

The Uses of 1-Benzyl-3-pyrrolidinone

1-Benzyl-3-pyrrolidinone is a substrate used to prepare chiral, alkenyl sulfoximines leading to highly functionalized diazabicycles.

The Uses of 1-Benzyl-3-pyrrolidinone

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.

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.

Properties of 1-Benzyl-3-pyrrolidinone

Boiling point:	77 °C/0.01 mmHg (lit.)
Density	1.091 g/mL at 25 °C (lit.)
refractive index	n20/D 1.539(lit.)
Flash point:	>230 °F
storage temp.	2-8°C
form	Crystalline Powder, Crystals or Chunks
pka	5.56±0.20(Predicted)
color	White to off-white
BRN	1526217
CAS DataBase Reference	775-16-6(CAS DataBase Reference)

Safety information for 1-Benzyl-3-pyrrolidinone

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P321:Specific treatment (see … on this label). P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention.