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About This Item
Linear Formula:
(C2H5O)2CHCH2CN
CAS Number:
Molecular Weight:
143.18
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
95%
form
liquid
refractive index
n20/D 1.415 (lit.)
bp
91-93 °C/11 mmHg (lit.)
density
0.954 g/mL at 25 °C (lit.)
SMILES string
CCOC(CC#N)OCC
InChI
1S/C7H13NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-5H2,1-2H3
InChI key
WBOXEOCWOCJQNK-UHFFFAOYSA-N
General description
3,3-Diethoxypropionitrile is a cyanide derivative. It undergoes reaction with urea in refluxing butanolic sodium butoxide to afford 4-amino-2(1H)-pyrimidinone and cytosine. Its physical properties (density, refractive index, boiling point and melting point) have been reported.
Application
3,3-Diethoxypropionitrile may be used in the synthesis of 2-(2,2-diethoxy-ethyl)-pyridine, via [2+2+2]-cycloaddition reaction. It may be used in the synthesis of cyanomalondialdehyde.
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 2
Flash Point(F)
183.2 °F - closed cup
Flash Point(C)
84 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Preparation, Structure, and Reactions of Halomalondialehdes.
Reichardt C and Halbritter K.
Angewandte Chemie (International Edition in English), 14(2), 86-94 (1975)
Brown DJ.
The Chemistry of Heterocyclic Compounds, 216-216 (2009)
Synthesis of isoxazole.
Cai D, et al.
Chemical Reagents, 1, 027-027 (2010)
Yaws CL.
The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals, 164-164 (2015)
Barbara Heller et al.
The Journal of organic chemistry, 67(13), 4414-4422 (2002-06-22)
The photocatalyzed [2 + 2 + 2]-cycloaddition of nitriles with 2 equiv of acetylene to 2-pyridines can be carried out under mild conditions and represents a valuable extension to common synthetical methods. For the ideal wavelength range (350-500 nm), lamps
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