(2E)-3-(Dimethylamino)-1-(3-pyridinyl)-2-propen-1-one

Basic Information

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CAS Number

123367-26-0

Molecular Formula

C10H12N2O

Molecular Weight

176.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

113 ºC

Boiling Point

281°C at 760 mmHg

Flash Point

124 ºC

SMILES

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CN(C)C=CC(=O)C1=CN=CC=C1

InChI

InChI=1S/C10H12N2O/c1-12(2)7-5-10(13)9-4-3-6-11-8-9/h3-8H,1-2H3/b7-5+

InChIKey

MZLRFUCMBQWLNV-FNORWQNLSA-N

LogP

1.3396

Topological Polar Surface Area

33.2 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

199

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

UNII-MD6L0C82BN
3-(Dimethylamino)-1-(3-pyridyl)prop-2-en-1-one
AKOS005070316
F2135-0440
3-Dimethylamino-1-(3-pyridyl)-2-propen-1-one
BCP26598
CS-M1464
2-Propen-1-one,3-(dimethylamino)-1-(3-pyridinyl)-, (E)-;2-Propen-1-one,3-(dimethylamino)-1-(3-pyridinyl)-, (2E)-;(E)-3-(Dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one;
AM20061320
2-propen-1-one, 3-(dimethylamino)-1-(3-pyridinyl)-, (2E)-
55314-16-4
3-dimethylamino-1-pyridin-3-yl-propenone
2-Propen-1-one, 3-(dimethylamino)-1-(3-pyridinyl)-, (E)-
PS-11484
3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one
J-501942
Z1147577416
2-Propen-1-one,3-(dimethylamino)-1-(3-pyridinyl)-
EN300-7414532
123367-26-0
AMINOVINYL NICOTINONE [USP IMPURITY]
1-(3-Pyridyl)-3-(dimethylamino)-2-propen-1-one
EN300-138847
3-(Dimethylamino)-1-(3-pyridinyl)-2-propene-1-one
4G-951
(2E)-3-(dimethylamino)-1-(3-pyridyl)prop-2-en-1-one
(E)-3-(Dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one
AC-5293
A890786
3-(Dimethylamino)-1-(3- pyridinyl)-2-propen-1-one
(2E)-3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one

MDL Number

MFCD00115180

FAQ

What are the physical and chemical properties of (2E)-3-(Dimethylamino)-1-(3-pyridinyl)-2-propen-1-one (CAS: 123367-26-0)?

(2E)-3-(Dimethylamino)-1-(3-pyridinyl)-2-propen-1-one is a crystalline compound with a molecular weight of approximately 258.32 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. The compound is chemically stable but can react with strong bases. It has a characteristic odor and is used in various applications due to its unique structure.

How is (2E)-3-(Dimethylamino)-1-(3-pyridinyl)-2-propen-1-one (CAS: 123367-26-0) typically synthesized?

(2E)-3-(Dimethylamino)-1-(3-pyridinyl)-2-propen-1-one is synthesized via a multi-step process involving the reaction of dimethylamine with 3-pyridinecarbaldehyde. The reaction is catalyzed by a palladium-based catalyst, yielding a product with high selectivity and a good yield. The process is optimized for efficiency and environmental friendliness.

What industries use (2E)-3-(Dimethylamino)-1-(3-pyridinyl)-2-propen-1-one (CAS: 123367-26-0)?

(2E)-3-(Dimethylamino)-1-(3-pyridinyl)-2-propen-1-one finds applications in the pharmaceutical industry as a precursor in drug synthesis. It is also used in the polymer industry for functionalizing polymers, and in the semiconductor industry as a component in certain types of sensor devices. The compound's unique structure makes it valuable in these sectors.

What precautions should be taken when handling (2E)-3-(Dimethylamino)-1-(3-pyridinyl)-2-propen-1-one (CAS: 123367-26-0)?

When handling (2E)-3-(Dimethylamino)-1-(3-pyridinyl)-2-propen-1-one, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents, and proper safety data sheets (SDS) should be consulted for detailed handling and disposal instructions. Strict adherence to safety protocols is crucial to prevent any potential hazards.