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Sigma-Aldrich

N-Methyl-d3-2-pyrrolidinone-d6

98 atom % D

Synonym(s):

1-Methyl-d3-2-pyrrolidinone-d6, Deuterated methylpyrrolidinone

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About This Item

Empirical Formula (Hill Notation):
C5D9NO
CAS Number:
185964-60-7
Molecular Weight:
108.19
MDL number:
MFCD00148961
UNSPSC Code:
12352116
PubChem Substance ID:
24881952
NACRES:
NA.12

isotopic purity

98 atom % D

Quality Level

200

assay

99% (CP)

bp

202 °C (lit.)

density

1.125 g/mL at 25 °C

mass shift

M+9

SMILES string

[2H]C([2H])([2H])N1C(=O)C([2H])([2H])C([2H])([2H])C1([2H])[2H]

InChI

1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3/i1D3,2D2,3D2,4D2

InChI key

SECXISVLQFMRJM-YNSOAAEFSA-N

Related Categories

General description

N-Methyl-d3-2-pyrrolidinone-d9 is isotopically labeled analogue of N-methyl-2-pyrrolidinone

Application

N-Methyl-d3-2-pyrrolidinone-d9 can be used to investigate the mechanistic study of base-catalyzed carbon-alkylation of potassium enolates with styrenes via a metal–ene reaction.

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Repr. 1B - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

wgk_germany

WGK 1

flash_point_f

186.8 °F

flash_point_c

86 °C

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Joshua P Barham et al.
Organic & biomolecular chemistry, 18(11), 2063-2075 (2020-02-27)
Base-catalyzed, C-alkylation of potassium (K) enolates with styrenes (CAKES) has recently emerged as a highly practical and convenient method for elaboration or synthesis of pharmaceutically-relevant cores. K enolate-type precursors such as alkyl-substituted heterocycles (pyridines, pyrazines and thiophenes), ketones, imines, nitriles

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