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615854

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

Signal Word

Danger

Hazard Statements

H315,H319,H335,H360D

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PRTR

Class I Designated Chemical Substances

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

615854-1G:
615854-VAR:
615854-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
MBBC0234V
MBBC1639
MBBC1255
MBBB7373V
CC0226

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Methylpyrrolidone United States Pharmacopeia (USP) Reference Standard

USP

1437202

Methylpyrrolidone

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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