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
F: 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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1-Benzyl-3-pyrrolidinone Suppliers

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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

775-16-6, 1-Benzyl-3-pyrrolidinoneRelated Search:

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1-Benzyl-3-pyrrolidinone ISO 9001：2015 REACH

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775-16-6

755-16-6

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