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Merck
CN

165174

3-Cyanopropionaldehyde diethyl acetal

≥95.5%

Synonym(s):

4,4-Diethoxybutanenitrile, 4,4-Diethoxybutyronitrile

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About This Item

Linear Formula:
NCCH2CH2CH(OC2H5)2
CAS Number:
18381-45-8
Molecular Weight:
157.21
NACRES:
NA.22
PubChem Substance ID:
24850128
UNSPSC Code:
12352100
EC Number:
242-263-6
MDL number:
MFCD00001965
Assay:
≥95.5%
Form:
liquid

Key Documents

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Product Name

3-Cyanopropionaldehyde diethyl acetal, ≥95.5%

InChI key

DRZCPHGVEATLFR-UHFFFAOYSA-N

InChI

1S/C8H15NO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-6H2,1-2H3

SMILES string

CCOC(CCC#N)OCC

assay

≥95.5%

form

liquid

refractive index

n20/D 1.419 (lit.)

bp

104-106 °C/10 mmHg (lit.)

density

0.937 g/mL at 25 °C (lit.)

functional group

ether
nitrile

Quality Level

100

Related Categories

Application

3-Cyanopropionaldehyde diethyl acetal was used as starting reagent in the synthesis of methyl 2-(3,3-diethoxypropyl)-5-methoxyoxazole-4-carboxylate and tert-butyl 2-(3,3-diethoxypropyl)-5-tert-butoxyoxazole-4-carboxylate. It was also used in the synthesis of spermidine derivatives.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

195.8 °F - closed cup

flash_point_c

91 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM1471
0000298927
0000298928
0000298846
0000298928

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Synthesis of functionalised oxazoles and bis-oxazoles 1.
Bagley MC, et al.
Journal of the Chemical Society. Perkin Transactions 1, 3, 591-600 (1998)
A facile and stereoselective approach to substituted polyamines.
Barluenga J, et al.
Tetrahedron Letters, 34(12), 1981-1984 (1993)

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