761133
N,N-Diethyl-2-cyanoacetoamide
97%
别名:
2-Cyano-N,N-diethylacetamide, N,N-Diethylcyanoacetamide
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关于此项目
经验公式（希尔记法）:
C7H12N2O
化学文摘社编号:
分子量:
140.18
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352111
MDL number:
Assay:
97%
Form:
liquid
InChI
1S/C7H12N2O/c1-3-9(4-2)7(10)5-6-8/h3-5H2,1-2H3
SMILES string
CCN(CC)C(=O)CC#N
InChI key
RYSHIRFTLKZVIH-UHFFFAOYSA-N
assay
97%
form
liquid
refractive index
n20/D 1.466
density
1.013 g/mL at 25 °C
functional group
amide, nitrile
storage temp.
2-8°C
Quality Level
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.
存储类别
10 - Combustible liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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)
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)
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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