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Merck
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文件

761133

Sigma-Aldrich

N,N-Diethyl-2-cyanoacetoamide

97%

别名:

2-Cyano-N,N-diethylacetamide, N,N-Diethylcyanoacetamide

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About This Item

经验公式（希尔记法）:
C7H12N2O
CAS号:
26391-06-0
分子量:
140.18
MDL號碼:
MFCD01332383
分類程式碼代碼:
12352111
PubChem物質ID:
329766908
NACRES:
NA.22

化驗

97%

形狀

liquid

折射率

n20/D 1.466

密度

1.013 g/mL at 25 °C

儲存溫度

2-8°C

SMILES 字串

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

InChI

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

InChI 密鑰

RYSHIRFTLKZVIH-UHFFFAOYSA-N

應用

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.

儲存類別代碼

10 - Combustible liquids

水污染物質分類（WGK）

WGK 3

閃點（°F）

Not applicable

閃點（°C）

Not applicable

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Manikowski, Andrzej et al.
Synthetic Communications, 39, 3621-3638 (2009)
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)
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)
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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