1-(3-Pyridinyl)-1-butanone

Basic Information

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CAS Number

1701-70-8

Molecular Formula

C9H11NO

Molecular Weight

149.19 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

Boiling Point

253.4±13.0°C at 760 mmHg

SMILES

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CCCC(=O)C1=CN=CC=C1

InChI

InChI=1S/C9H11NO/c1-2-4-9(11)8-5-3-6-10-7-8/h3,5-7H,2,4H2,1H3

InChIKey

JORUAYHMUWRFNM-UHFFFAOYSA-N

LogP

2.0644

Topological Polar Surface Area

29.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

134

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

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

Synonyms & References

English

1-PYRIDIN-3-YLBUTAN-1-ONE
DS-6928
1-(3-pyridyl)butan-1-one
1701-70-8
1-Butanone, 1-(3-pyridinyl)-
1-(3-Pyridinyl)-1-butanone #
(3-pyridyl)-1-butanone
SB52372
EN300-132580
A909021
1-(3-Pyridinyl)-1-butanone
DTXSID50332661
3-Butyroylpyridine
1-(Pyridin-3-yl)butan-1-one
Propyl pyridyl ketone
1-pyridin-3-yl-butan-1-one
MFCD12153276
3-Butyrylpyridine
N12405
UNII-1BS6AQ13XB
Z513733856
1BS6AQ13XB
AKOS010016662
1-Butanone, 1-(3-pyridyl)-
1-(3-Pyridyl)-1-butanone
CS-0186273
propyl 3-pyridyl ketone
Q27464343
SCHEMBL552724
BAA70170
1-pyridin-3-ylbutan-1-one

MDL Number

MFCD12153276

FAQ

What are the physical and chemical properties of 1-(3-Pyridinyl)-1-butanone (CAS: 1701-70-8)?

1-(3-Pyridinyl)-1-butanone has a crystalline form with a molecular weight of approximately 161.17 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is reactive and can undergo nucleophilic substitution reactions and condensation reactions.

How is 1-(3-Pyridinyl)-1-butanone (CAS: 1701-70-8) typically synthesized?

1-(3-Pyridinyl)-1-butanone is typically synthesized via the reaction of 3-pyridylamine with acetone. The reaction involves the formation of an intermediate amide which then undergoes acid-catalyzed hydrolysis to form the ketone. Common catalysts include hydrochloric acid and acetic acid, with yield and selectivity varying depending on the conditions.

What industries use 1-(3-Pyridinyl)-1-butanone (CAS: 1701-70-8)?

1-(3-Pyridinyl)-1-butanone is used in various industries. It is primarily used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry as a monomer, and in the sensor industry for detection applications. It also finds use in the semiconductor industry as a precursor for organic semiconductors.

What precautions should be taken when handling 1-(3-Pyridinyl)-1-butanone (CAS: 1701-70-8)?

When handling 1-(3-Pyridinyl)-1-butanone, it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Work should be conducted in a well-ventilated area or fume hood to prevent inhalation of vapors. Spills should be treated with caution; neutralize with an appropriate chemical and dispose of in accordance with local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.