370460
Diethoxyacetonitrile
97%
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About This Item
Linear Formula:
(C2H5O)2CHCN
CAS Number:
Molecular Weight:
129.16
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
228-111-1
MDL number:
Product Name
Diethoxyacetonitrile, 97%
InChI key
UDELMRIGXNCYLU-UHFFFAOYSA-N
InChI
1S/C6H11NO2/c1-3-8-6(5-7)9-4-2/h6H,3-4H2,1-2H3
SMILES string
CCOC(OCC)C#N
assay
97%
form
liquid
refractive index
n20/D 1.4 (lit.)
bp
167.7 °C/773 mmHg (lit.)
mp
−19-−18 °C (lit.)
density
0.929 g/mL at 25 °C (lit.)
functional group
ether
nitrile
Quality Level
Related Categories
Application
Diethoxyacetonitrile may be used in the preparation of methyl 5-diethoxymethylimidazole-4-carboxylate, via anionic cycloaddition reaction with methyl isocyanoacetate.
General description
Diethoxyacetonitrile is a 2,2-dialkoxyalkanenitrile derivative. Reaction of hydrocyanic acid with various ortho esters of aliphatic and aromatic acids in the presence of acidic catalyst has been reported to afford diethoxyacetonitrile. Houben-Hoesch reaction of diethoxyacetonitrile with 1,2,4-trimethoxybenzene affords tris(2,4,5-trimethoxyphenyl)methane.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
120.2 °F - closed cup
flash_point_c
49 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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2, 2-Dialkoxyalkanenitriles.
Erickson JG.
Journal of the American Chemical Society, 73(3), 1338-1339 (1951)
An anomalous Houben-Hoesch reaction and some applications in arylation reactions.
Sanchez-Viesca F, et al.
Organic Prep. and Proc. Int., 36(2), 135-140 (2004)
An efficient synthesis of 5-diethoxymethylimidazole-4-carboxylate, a potential precursor for various imidazole derivatives.
Murakami T, et al.
Tetrahedron Letters, 23(45), 4729-4732 (1982)
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