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Merck
CN

117641

3-Aminocrotononitrile

96%

Synonym(s):

3-Amino-2-butenenitrile, 3-Iminobutyronitrile, Diacetonitrile

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About This Item

Linear Formula:
H2N(CH3)=CHCN
CAS Number:
1118-61-2
Molecular Weight:
82.10
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24847338
EC Number:
214-266-2
Beilstein/REAXYS Number:
1719815
MDL number:
MFCD00008071
Assay:
96%

Key Documents

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InChI key

DELJOESCKJGFML-DUXPYHPUSA-N

InChI

1S/C4H6N2/c1-4(6)2-3-5/h2H,6H2,1H3/b4-2+

SMILES string

C\C(N)=C/C#N

assay

96%

solubility

95% ethanol: soluble 25 mg/mL, clear, colorless to yellow

functional group

amine, nitrile

storage temp.

2-8°C

Application

3-Aminocrotononitrile was used as bisnucleophilic reagent which on cyclocondensation with hexafluoroacetone(ethoxycarbonylimine) forms bis(trifluoromethyl)pyrimidinones.

Biochem/physiol Actions

3-Aminocrotononitrile reacts with ferrocenyl-1,2-enones to form ferrocenyl pyridines. It undergoes diazotization coupling reaction with p-substituted anilines to give 2-arylhydrazone-3-ketimino-butyronitriles.

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Skin Sens. 1

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCCD9554
BCCC1656
BCCB4680
BCBW6393
BCBV6939

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Synthesis of disazo pyrazolo [1, 5-< i> a</i>] pyrimidines.
Karci F and Demircali A.
Dyes and Pigments, 74(2), 288-297 (2007)
Synthesis of fluoro-containing pyrimidinones from hexafluoroacetone (ethoxycarbonylimine).
Sokolov VB and Aksinenko AY
Russian Chemical Bulletin, 54(6), 1518-1522 (2005)
Elena I Klimova et al.
Molecules (Basel, Switzerland), 17(9), 10079-10093 (2012-08-28)
The reactions of 2-cyano-3-ferrocenylacrylonitrile (1) with malononitrile (2) in a MeOH/H₂O or 2-PrOH/H₂O medium in the presence of Na₂CO₃ afforded 6-alkoxy-2-amino-4-ferrocenylpyridine-3,5-dicarbonitriles 3a,b (multi-component condensation) and 6-alkoxy-2-amino-4-ferrocenyl-3-ferrocenylmethyl-3,4-dihydropyridine-3,5-dicarbonitriles 4a,b (multi-component cyclodimerization). Analogous reactions of 1 with 2 in an MeOH/H₂O medium in

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