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3,3-Diethoxypropionitrile

95%

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Linear Formula:
(C2H5O)2CHCH2CN
CAS Number:
Molecular Weight:
143.18
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

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

Related Categories

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.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 2

flash_point_f

183.2 °F - closed cup

flash_point_c

84 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter


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Brown DJ.
The Chemistry of Heterocyclic Compounds, 216-216 (2009)
Preparation, Structure, and Reactions of Halomalondialehdes.
Reichardt C and Halbritter K.
Angewandte Chemie (International Edition in English), 14(2), 86-94 (1975)
Synthesis of isoxazole.
Cai D, et al.
Chemical Reagents, 1, 027-027 (2010)
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
Yaws CL.
The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals, 164-164 (2015)

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