ChemicalBook > CAS DataBase List > 1-Benzyl-3-pyrrolidinone

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
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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)
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Safety

Hazard Codes 
Xi,Xn
Risk Statements 
36/37/38-20/21/22
Safety Statements 
26-37/39-24/25-36
WGK Germany 
3
10
HazardClass 
IRRITANT, KEEP COLD
HS Code 
29339900
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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.

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N-Bromosuccinimide Price

TCI Chemical
Product number
B3606
Product name
1-Benzyl-3-pyrrolidone
Purity
>98.0%(GC)(T)
Packaging
5g
Price
$128
Updated
2023/01/07
TCI Chemical
Product number
B3606
Product name
1-Benzyl-3-pyrrolidone
Purity
>98.0%(GC)(T)
Packaging
25g
Price
$365
Updated
2025/07/31
TRC
Product number
B288760
Product name
1-Benzyl-3-pyrrolidinone
Packaging
10g
Price
$140
Updated
2021/12/16
TRC
Product number
B288760
Product name
1-Benzyl-3-pyrrolidinone
Packaging
100g
Price
$1100
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0034802
Product name
1-BENZYL-3-PYRROLIDINONE
Purity
95.00%
Packaging
1G
Price
$648.81
Updated
2021/12/16
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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

1-Benzyl-3-pyrrolidinone Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 1-Benzyl-3-pyrrolidinone manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
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
WUHAN FORTUNA CHEMICAL CO., LTD
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
Henan Aochuang Chemical Co.,Ltd.
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

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