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378615

Sigma-Aldrich

3,3-Diethoxypropionitrile

95%

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About This Item

Linear Formula:
(C2H5O)2CHCH2CN
CAS Number:
2032-34-0
Molecular Weight:
143.18
EC Number:
217-988-6
MDL number:
MFCD00040558
UNSPSC Code:
12352100
PubChem Substance ID:
24863564
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

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
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

378615-25ML:4548173141688
378615-VAR:
378615-BULK:
378615-100ML:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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