Skip to Content
Merck
CN

185175

1-Benzyl-3-pyrrolidinone

98%

Sign In to View Organizational & Contract Pricing.

Select a Size

About This Item

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

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Product Name

1-Benzyl-3-pyrrolidinone, 98%

InChI key

DHGMDHQNUNRMIN-UHFFFAOYSA-N

InChI

1S/C11H13NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2

SMILES string

O=C1CCN(C1)Cc2ccccc2

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.)

functional group

ketone
phenyl

storage temp.

2-8°C

Looking for similar products? Visit Product Comparison Guide

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.

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.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
0000031589
0000001590
0000031588
BGBB4214V
BGBB4214

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Facile synthesis of 3-arylpyrroles by tandem Suzuki-dehydrogenation reaction.
Lee C-W and Chung YJ.
Tetrahedron Letters, 41(18), 3423-3425 (2000)
A thermodynamic study of ketoreductase-catalyzed reactions 5. Reduction of substituted ketones in n-hexane.
Tewari YB, et al.
The Journal of Chemical Thermodynamics, 40(4), 661-670 (2008)
Synthesis, 2224-2224 (2006)
Practical synthetic process for enantiopure 1-benzyl-3-hydroxypyrrolidine.
Morimoto M and Sakai K.
Tetrahedron Asymmetry, 19(12), 1465-1469 (2008)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service