3-(4-pyridyl)prop-2-enoic acid

Basic Information

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CAS Number

5337-79-1

Molecular Formula

C8H7NO2

Molecular Weight

149.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Melting Point

280 ºC

Boiling Point

317.5℃ at 760 mmHg

Density

1.3±0.1 g/cm3

Flash Point

145.8±20.9 °C

Vapor Pressure

0.0±0.7 mmHg at 25°C

SMILES

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C1=CN=CC=C1C=CC(=O)O

InChI

InChI=1S/C8H7NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-6H,(H,10,11)

InChIKey

SSAYTINUCCRGDR-UHFFFAOYSA-N

LogP

1.1794

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

160

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

(2e)-3-pyridin-4-ylacrylic acid
AKOS025310925
AS-11569
4-Pyridineacrylic acid
5337-79-1
Z56943369
NSC830
NS00044510
(e)-3-(pyridin-4-yl)acrylic acid
(2e)-3-(4-pyridinyl)acrylic acid
3-(pyridin-4-yl)acrylic acid
3-(4-Pyridyl) acrylic acid
trans-3-(4-pyridyl)acrylic acid
(e)-3-(pyridin-4-yl)acrylicacid
EN300-06512
3-(4-Pyridyl)acrylic acid
AKOS000122927
NSC-830
CHEMBL1615293
(E)-3-(4-Pyridyl)prop-2-enoic acid
(e)-3-pyridin-4-yl-acrylic acid
(E)-3-pyridin-4-ylacrylic acid
(2E)-3-(pyridin-4-yl)prop-2-enoic acid
(2E)-3-pyridin-4-ylprop-2-enoic acid
AA-516/30131001
CS-W021781
BB 0258327
A847166
A7775
3-(pyridin-4-yl)prop-2-enoic acid
Q27467560

MDL Number

MFCD00040746

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 3-(4-pyridyl)prop-2-enoic acid (CAS: 5337-79-1)?

3-(4-pyridyl)prop-2-enoic acid is a crystalline solid with a molecular weight of approximately 183.17 g/mol. It has a solubility of 0.2 g/100 mL in water and a pKa of 3.4. The compound exhibits moderate reactivity, particularly in acidic conditions, and is susceptible to hydrolysis and oxidation.

How is 3-(4-pyridyl)prop-2-enoic acid (CAS: 5337-79-1) typically synthesized?

3-(4-pyridyl)prop-2-enoic acid is commonly synthesized via the reaction of 4-pyridylprop-2-yl acetoacetate with hydrochloric acid in an acidic medium under heating. The process is known for its good yield and selectivity, though careful control of reaction conditions is necessary to avoid side reactions.

What industries use 3-(4-pyridyl)prop-2-enoic acid (CAS: 5337-79-1)?

3-(4-pyridyl)prop-2-enoic acid is widely utilized in pharmaceuticals for the synthesis of intermediates and raw materials, as well as in the production of sensors and semiconductors for electronics. Its applications in polymer chemistry and materials science are also growing due to its unique reactivity and functional groups.

What precautions should be taken when handling 3-(4-pyridyl)prop-2-enoic acid (CAS: 5337-79-1)?

When handling 3-(4-pyridyl)prop-2-enoic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be stored in a tightly sealed container in a cool, dry place away from direct sunlight and heat sources. In case of spillage, the area should be ventilated, and the spill should be cleaned up using appropriate methods as per the safety data sheet (SDS).