1-Benzyl-3-pyrrolidinone
- Product Name
- 1-Benzyl-3-pyrrolidinone
- CAS No.
- 775-16-6
- Chemical Name
- 1-Benzyl-3-pyrrolidinone
- Synonyms
- 1-BENZYLPYRROLIDIN-3-ONE;1-Benzylpyrrolidinone;N-BENZYL-3-PYRROLIDONE;1-BENZYL-3-PYRROLIDONE;1-BENZLY-3-PYRROLIDONE;5 N-Benzyl-3-Pyrrolidone;N-BeNzyl-3-pyrrolidiNoNe;1-BENZYL-3-PYRROLIDINONE;1-Benzyl-3-pyrrolizinone;1-Benzylpyrrolizin-3-one
- CBNumber
- CB8753449
- Molecular Formula
- C11H13NO
- Formula Weight
- 175.23
- MOL File
- 775-16-6.mol
1-Benzyl-3-pyrrolidinone Property
- 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
- InChI
- InChI=1S/C11H13NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2
- InChIKey
- DHGMDHQNUNRMIN-UHFFFAOYSA-N
- SMILES
- N1(CC2=CC=CC=C2)CCC(=O)C1
- CAS DataBase Reference
- 775-16-6(CAS DataBase Reference)
Safety
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36/37/38-20/21/22
- Safety Statements
- 26-37/39-24/25-36
- WGK Germany
- 3
- F
- 10
- HazardClass
- IRRITANT, KEEP COLD
- HS Code
- 29339900
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P321Specific treatment (see … on this label).
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
N-Bromosuccinimide Price
- Product number
- B3606
- Product name
- 1-Benzyl-3-pyrrolidone
- Purity
- >98.0%(GC)(T)
- Packaging
- 5g
- Price
- $128
- Updated
- 2023/01/07
- Product number
- B3606
- Product name
- 1-Benzyl-3-pyrrolidone
- Purity
- >98.0%(GC)(T)
- Packaging
- 25g
- Price
- $365
- Updated
- 2025/07/31
- Product number
- B288760
- Product name
- 1-Benzyl-3-pyrrolidinone
- Packaging
- 10g
- Price
- $140
- Updated
- 2021/12/16
- Product number
- B288760
- Product name
- 1-Benzyl-3-pyrrolidinone
- Packaging
- 100g
- Price
- $1100
- Updated
- 2021/12/16
- Product number
- CHM0034802
- Product name
- 1-BENZYL-3-PYRROLIDINONE
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $648.81
- Updated
- 2021/12/16
1-Benzyl-3-pyrrolidinone Chemical Properties,Usage,Production
Chemical Properties
clear yellow liquid
Uses
Substrate used to prepare chiral, alkenyl sulfoximines leading to highly functionalized diazabicycles.1
Uses
1-Benzyl-3-pyrrolidinone is a substrate used to prepare chiral, alkenyl sulfoximines leading to highly functionalized diazabicycles.
Uses
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.
Synthesis
775-15-5
775-16-6
General procedure for the synthesis of 1-benzyl-3-pyrrolidinone from N-benzyl-3-hydroxypyrrolidine: 12.50 g of oxalyl chloride was slowly added dropwise to 70 mL of dichloromethane, stirred and cooled to -65 °C or lower. Subsequently, a dichloromethane solution of 5.0 g of DMSO was added dropwise, keeping the reaction temperature at -65°C. After dropwise addition, stirring was continued for 30 minutes. Next, 8.80 g of a dichloromethane solution of 1-benzyl-3-hydroxypyrrolidine was added dropwise, maintaining the temperature at -65 °C, and the reaction progress was monitored by TLC. After 2 hours of reaction, triethylamine was slowly added dropwise at -65 °C, controlling the temperature at -65 °C, and stirring was continued for 30 minutes after completion of the dropwise addition. Subsequently, the temperature of the reaction system was raised to 0 °C and water was added dropwise to transform the suspension into a clarified solution. The organic layer was separated, washed with brine and dried to give 8.00 g of 1-benzyl-3-pyrrolidone in 90.90% yield and 95% HPLC purity.
References
[1] Patent: CN106938980, 2017, A. Location in patent: Paragraph 0026-0031
[2] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 9, p. 2465 - 2469
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View Lastest Price from 1-Benzyl-3-pyrrolidinone manufacturers
- Product
- 1-Benzyl-3-pyrrolidinone 775-16-6
- Price
- US $2.20-8.80/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 50kg
- Release date
- 2025-06-24
- Product
- 1-Benzyl-3-pyrrolidinone 775-16-6
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 98%min
- Supply Ability
- 30tons/month
- Release date
- 2023-02-22
- Product
- 1-Benzyl-3-pyrrolidinone 775-16-6
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1Ton
- Release date
- 2022-09-19