263699
3-Ethoxyacrylonitrile, mixture of cis and trans
97%
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About This Item
Linear Formula:
C2H5OCH=CHCN
CAS Number:
Molecular Weight:
97.12
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
97%
form
liquid
refractive index
n20/D 1.454 (lit.)
bp
90-91 °C/19 mmHg (lit.)
density
0.944 g/mL at 25 °C (lit.)
SMILES string
CCOC=CC#N
InChI
1S/C5H7NO/c1-2-7-5-3-4-6/h3,5H,2H2,1H3
InChI key
HUPVIAINOSTNBJ-UHFFFAOYSA-N
General description
Heck reaction of 3-ethoxyacrylonitrile with aryl bromides catalyzed by a tetraphosphine/palladium complex has been reported.
Application
3-Ethoxyacrylonitrile has been used in the preparation of (Z)-β-aminoacrylonitrile.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
10 - Combustible liquids
WGK
WGK 1
Flash Point(F)
179.6 °F - closed cup
Flash Point(C)
82 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Heck reactions of 2-substituted enol ethers with aryl bromides catalysed by a tetraphosphine/palladium complex.
Battace A, et al.
Tetrahedron Letters, 47(4), 459-462 (2006)
Sundeep Rayat et al.
Chemical research in toxicology, 18(8), 1211-1218 (2005-08-16)
A discussion of nitrosative deamination of cytosine 1 is presented that argues for the formation of 6 by diazotization of 1 to cytosinediazonium ion 2 and its electrostatic complex 3, dediazoniation to 4 <--> 5, and amide-bond cleavage to 6.
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