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761133

Sigma-Aldrich

N,N-Diethyl-2-cyanoacetoamide

97%

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Synonym(s):
2-Cyano-N,N-diethylacetamide, N,N-Diethylcyanoacetamide
Empirical Formula (Hill Notation):
C7H12N2O
CAS Number:
Molecular Weight:
140.18
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

97%

form

liquid

refractive index

n20/D 1.466

density

1.013 g/mL at 25 °C

storage temp.

2-8°C

SMILES string

CCN(CC)C(=O)CC#N

InChI

1S/C7H12N2O/c1-3-9(4-2)7(10)5-6-8/h3-5H2,1-2H3

InChI key

RYSHIRFTLKZVIH-UHFFFAOYSA-N

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This Item
DX1545D139505665843
N,N-Diethyl-2-cyanoacetoamide 97%

761133

N,N-Diethyl-2-cyanoacetoamide

N,N-Dimethylacetamide

DX1545

N,N-Dimethylacetamide

4-(Dimethylamino)benzonitrile 98%

D139505

4-(Dimethylamino)benzonitrile

4-(Methylamino)benzonitrile 97%

665843

4-(Methylamino)benzonitrile

Quality Level

100

Quality Level

200

Quality Level

200

Quality Level

100

storage temp.

2-8°C

storage temp.

room temp

storage temp.

-

storage temp.

-

density

1.013 g/mL at 25 °C

density

0.94 g/cm3 at 20 °C

density

-

density

-

form

liquid

form

liquid

form

crystals

form

solid

refractive index

n20/D 1.466

refractive index

-

refractive index

-

refractive index

-

Application

N,N-Diethyl-2-cyanoacetoamide can be used:
  • To prepare N,N-diethyl 2-cyano-2-fluoro-2-phenylthioacetoamide, which is further used in the synthesis of various cyanofluoroamides.
  • In the synthesis of entacapone, a catechol-O-methyltransferase inhibitor by reacting with 3,4-dihydroxy-5-nitrobenzaldehyde.
  • As a building block in the synthesis of fluorophores, applicable as endoplasmic reticulum probes.

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable


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A light-up endoplasmic reticulum probe based on a rational design of red-emissive fluorogens with aggregation-induced emission
Zhang C, et al.
Chemical Communications (Cambridge, England), 53(78), 10792-10795 (2017)
Bhawal, Baburao M., et al.
Synthetic Communications, 20, 3232-3243 (1990)
Manikowski, Andrzej et al.
Synthetic Communications, 39, 3621-3638 (2009)
In-line reaction monitoring of entacapone synthesis by Raman spectroscopy and multivariate analysis
Novak P, et al.
Journal of Pharmaceutical and Biomedical Analysis, 54(4), 660-666 (2011)
The development of a novel synthetic method for cyanofluoroamides using a cobaltadithiolene complex
Yokoyama Y, et al.
Synthesis, 2004(05), 701-705 (2004)

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