4-Ethyl-2-piperazinone hydrochloride (1:1)

Basic Information

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CAS Number

65464-00-8

Molecular Formula

C6H13ClN2O

Molecular Weight

164.64 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

Basic Physical Properties

SMILES

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CCN1CCNC(=O)C1.Cl

InChI

InChI=1S/C6H12N2O.ClH/c1-2-8-4-3-7-6(9)5-8;/h2-5H2,1H3,(H,7,9);1H

InChIKey

NSWOBMIYJFZIIS-UHFFFAOYSA-N

LogP

-0.14009999999999978

Topological Polar Surface Area

32.34 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

114

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

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

Synonyms & References

English

4-Ethylpiperazin-2-one hydrochloride
4-ethyl-2-piperazinone hydrochloride
AK480961
Piperazinone, 4-ethyl-, monohydrochloride
T5451

MDL Number

MFCD22422017

FAQ

What are the physical and chemical properties of 4-Ethyl-2-piperazinone hydrochloride (CAS: 65464-00-8)?

4-Ethyl-2-piperazinone hydrochloride (CAS: 65464-00-8) is a white crystalline solid with a molecular weight of approximately 240.7 g/mol. It has a pKa of 2.0, indicating it is a weak acid. The compound is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. It exhibits good stability under normal conditions but is reactive towards bases. It is often used as a starting material in organic synthesis due to its reactivity and functional groups.

How is 4-Ethyl-2-piperazinone hydrochloride (CAS: 65464-00-8) typically synthesized?

4-Ethyl-2-piperazinone hydrochloride (CAS: 65464-00-8) is typically synthesized by reacting 2-piperazinone with ethyl bromide in the presence of a base like sodium hydroxide. The reaction is conducted in an aprotic solvent such as dimethylformamide. The yield is generally high, around 80-90%, and the product is isolated by recrystallization from ethanol. Other methods include direct ethylation of 2-piperazinone using ethyl iodide under similar conditions.

What industries use 4-Ethyl-2-piperazinone hydrochloride (CAS: 65464-00-8)?

4-Ethyl-2-piperazinone hydrochloride (CAS: 65464-00-8) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also utilized in the polymer industry for the production of polyurethanes and other polymers. Additionally, it finds applications in the development of sensors and semiconductors due to its unique chemical properties and reactivity.

What precautions should be taken when handling 4-Ethyl-2-piperazinone hydrochloride (CAS: 65464-00-8)?

When handling 4-Ethyl-2-piperazinone hydrochloride (CAS: 65464-00-8), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood. Spills should be handled carefully, and the area should be flushed with water. It is important to consult the Safety Data Sheet (SDS) for detailed emergency response information and storage recommendations. The compound should be stored in a cool, dry place away from incompatible materials.