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690945

N,N-Diethylacetoacetamide

Name: <I>N</I>,<I>N</I>-Diethylacetoacetamide
Brand: ALDRICH

Arxada quality, 98.0-100.3 % (w/w) (T)

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About This Item

Linear Formula:

CH₃COCH₂CON(C₂H₅)₂

CAS Number:

2235-46-3

Molecular Weight:

157.21

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

329761374

EC Number:

218-792-3

Beilstein/REAXYS Number:

636486

MDL number:

MFCD00026728

Form:

liquid

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Properties

form

liquid

Quality Level

100

quality

Arxada quality

manufacturer/tradename

Arxada AG

concentration

98.0-100.3 % (w/w) (T)

impurities

≤0.30% water, ≤4.00 g/L free amine

density

0.994 g/mL at 20 °C (lit.)

SMILES string

CCN(CC)C(=O)CC(C)=O

InChI

1S/C8H15NO2/c1-4-9(5-2)8(11)6-7(3)10/h4-6H2,1-3H3

InChI key

NTMXFHGYWJIAAE-UHFFFAOYSA-N

Description

Application

N,N-Diethylacetoacetamide is a β-dicarbonyl compound that can be used to synthesize potent calcium channel blockers such as 2,6,6-trimethyl-3-diethylaminocarbonyl-4-aryl-5-oxo-1,4,5,6,7,8-hexahydroquinoline derivatives and N,N-diethyl-2,6,6-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide. It can also undergo Michael addition in the presence of bis(2,4-pentanedionato)nickel(II) catalyst.

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

201.2 °F - closed cup

flash_point_c

94 °C - closed cup

ppe

Eyeshields, Gloves

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Nickel-catalyzed Michael additions of. beta.-dicarbonyls.

Nelson JH

The Journal of Organic Chemistry, 45(7), 1246-1249 (1980)

Studies on 3-Diethyl-aminocarbonyl-1, 4; 5, 6, 7, 8-hexahydroquinoline Derivatives and their Calcium Channel Antagonistic Activities in vitro.

K?smetli E

Arzneimittelforschung, 54(07), 371-375 (2004)

N, N-Diethyl-2, 6, 6-trimethyl-4-(3-nitrophenyl)-5-oxo-1, 4, 5, 6, 7, 8-hexahydroquinoline-3-carboxamide.

Linden A

Acta Crystallographica Section C, Crystal Structure Communications, 58(7), 436-438 (2002)

Global Trade Item Number

SKU	GTIN
690945-1KG	04061838351784
690945-210KG	04061832765228
690945-25KG	04061837377778