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Merck
CN

615854

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
NACRES:
NA.12
PubChem Substance ID:
24881952
UNSPSC Code:
12352116
MDL number:
MFCD00148961
Isotopic purity:
98 atom % D
Assay:
99% (CP)
Mass shift:
M+9

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InChI

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

SMILES string

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

InChI key

SECXISVLQFMRJM-YNSOAAEFSA-N

isotopic purity

98 atom % D

assay

99% (CP)

bp

202 °C (lit.)

density

1.125 g/mL at 25 °C

mass shift

M+9

Quality Level

200

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

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 1

flash_point_f

186.8 °F - closed cup

flash_point_c

86 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
MBBD8235
MBBC0234V
MBBC1639
MBBC1255
MBBB7373V

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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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