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Merck
CN

278246

3-Cyano-6-methyl-2(1H)-pyridinone

97%

Synonym(s):

1,2-Dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile

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About This Item

Empirical Formula (Hill Notation):
C7H6N2O
CAS Number:
4241-27-4
Molecular Weight:
134.14
NACRES:
NA.22
PubChem Substance ID:
24856795
UNSPSC Code:
12352100
EC Number:
224-202-5
MDL number:
MFCD00006013

Key Documents

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Product Name

3-Cyano-6-methyl-2(1H)-pyridinone, 97%

InChI key

FIMGYEKEYXUTGD-UHFFFAOYSA-N

InChI

1S/C7H6N2O/c1-5-2-3-6(4-8)7(10)9-5/h2-3H,1H3,(H,9,10)

SMILES string

CC1=CC=C(C#N)C(=O)N1

assay

97%

mp

293-295 °C (lit.)

functional group

nitrile

Application

3-Cyano-6-methyl-2(1H)-pyridinone has been used in the preparation of the N3′-pyridyl thiamine, a potent in vitro thiamine antagonist.

General description

Supramolecular structures of coordination copper(I) compounds of 3-cyano-6-methyl-2(1H)-pyridinone has been investigated.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
STBC7209V
STBD0824V
S64666V
S64666
03004KJ

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Allen A Thomas et al.
Bioorganic & medicinal chemistry letters, 18(6), 2206-2210 (2008-02-13)
Tumor cells extensively utilize the pentose phosphate pathway for the synthesis of ribose. Transketolase is a key enzyme in this pathway and has been suggested as a target for inhibition in the treatment of cancer. In a pharmacodynamic study, nude
Construction of three-dimensional supramolecular coordination copper (I) compounds with channel structures hosting a variety of anions by changing the hydrogen-bonding mode and distances.
Munakata M, et al.
Journal of the American Chemical Society, 118(13), 3117-3124 (1996)

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