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66521-54-8

66521-54-8 Structure

66521-54-8 Structure
IdentificationBack Directory
[Name]

3-(DIMETHYLAMINO)-1-(2-PYRIDYL)-2-PROPE&
[CAS]

66521-54-8
[Synonyms]

5C-070
511676_ALDRICH
2-[3-(Dimethylamino)acryloyl]pyridine
3-(DIMETHYLAMINO)-1-(2-PYRIDYL)-2-PROPE&
3-(DIMETHYLAMINO)-1-(2-PYRIDYL)-2-PROPE&
1-(2-Pyridyl)-3-dimethylamino-2-propen-1-one
3-dimethylamino-1-(2-pyridyl)prop-2-en-1-one
(E)-3-dimethylamino-1-(2-pyridyl)prop-2-en-1-one
3-(Dimethylamino)-1-(pyridin-2-yl)prop-2-en-1-one
3-(Dimethylamino)-1-(2-pyridyl)-2-propen-1-one 95%
3-(Dimethylamino)-1-(pyridine-2-yl)prop-2-en-1-one
2-Propen-1-one, 3-(dimethylamino)-1-(2-pyridinyl)-
(2E)-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one
(E)-3-DiMethylaMino-1-(2-pyridyl)-2-propen-1-one, 98%
3-(Dimethylamino)-1-(pyridin-2-yl)prop-2-en-1-one 98%
JR-8942, 3-(Dimethylamino)-1-(2-pyridyl)-2-propen-1-one, 97%
InChI=1/C10H12N2O/c1-12(2)8-6-10(13)9-5-3-4-7-11-9/h3-8H,1-2H3/b8-6
[Molecular Formula]

C10H12N2O
[MDL Number]

MFCD00115039
[MOL File]

66521-54-8.mol
[Molecular Weight]

176.218
Chemical PropertiesBack Directory
[Melting point ]

126-130 °C(lit.)
[Boiling point ]

281.4±36.0 °C(Predicted)
[density ]

1.07
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

6.25±0.70(Predicted)
[Appearance]

Yellow to brown Solid
[InChI]

1S/C10H12N2O/c1-12(2)8-6-10(13)9-5-3-4-7-11-9/h3-8H,1-2H3/b8-6+
[InChIKey]

BWERGHWJEBQNQV-SOFGYWHQSA-N
[SMILES]

CN(C)\C=C\C(=O)c1ccccn1
Questions And AnswerBack Directory
[Synthesis]

3-(Dimethylamino)-1-(pyridine-2-yl)prop-2-en-1-one was synthesised based on the literature. The reaction of (2g, 16.5mmol) of 2-acetylpyridine and DMF dimethyl acetal(7.84g) were suspended in 11ml of xylene and stir this reaction mixture for 16h at 110℃. Into the resulting mixture 10 ml of hexane added yellow colour precipitate was formed and allows stirring for 20min at 3℃. Resulting mixture was filtered and dried in vacuum to get a yellow colour powder.1.png
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2933399990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

3-(Dimethylamino)-1-(2-pyridyl)-2-propen-1-one may be used in the preparation of the 5-(heteroaryl)isoxazole derivatives, 5-(2-pyridyl)isoxazole and 3-methyl-5-(2-pyridyl)isoxazole. It may also be used to synthesize 7-(2-pyridyl)-1,2,4-triazolo[1,5-a]pyrimidine.
[General Description]

3-(Dimethylamino)-1-(2-pyridyl)-2-propen-1-one (1-(2′-Pyridyl)-3-dimethylamino-2-propen-1-one), an enaminone, is a hemilabile hybrid ligand. The preparation of cationic mononuclear rhodium(I) or iridium(I) complexes containing 3-(dimethylamino)-1-(2-pyridyl)-2-propen-1-one have been reported.
[References]

[1] Molecules, 2007, vol. 12, # 8, p. 2061 - 2079
[2] European Journal of Organic Chemistry, 2012, # 32, p. 6407 - 6413,7
[3] Synthetic Communications, 1993, vol. 23, # 13, p. 1897 - 1903
[4] Organic Preparations and Procedures International, 1997, vol. 29, # 3, p. 285 - 292
[5] Journal of Chemical Research, Miniprint, 1997, # 3, p. 601 - 615
Spectrum DetailBack Directory
[Spectrum Detail]

3-(Dimethylamino)-1-(pyridine-2-yl)prop-2-en-1-one(66521-54-8)1HNMR
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