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185175

1-Benzyl-3-pyrrolidinone

Name: 1-Benzyl-3-pyrrolidinone
Brand: ALDRICH

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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

Assay:

98%

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Properties

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

SMILES string

O=C1CCN(C1)Cc2ccccc2

InChI

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

InChI key

DHGMDHQNUNRMIN-UHFFFAOYSA-N

Description

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.

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.

pictograms

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

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

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Facile synthesis of 3-arylpyrroles by tandem Suzuki-dehydrogenation reaction.

Lee C-W and Chung YJ.

Tetrahedron Letters, 41(18), 3423-3425 (2000)

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)

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Global Trade Item Number

SKU	GTIN
185175-1G	04061838096371
185175-10G	04061838134912