1-Pyrrolidinyl(1H-1,2,3-triazol-1-yl)methanone

Basic Information

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CAS Number

1312782-34-5

Molecular Formula

C7H10N4O

Molecular Weight

166.18 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

SMILES

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c1cn(nn1)C(=O)N2CCCC2

InChI

InChI=1S/C7H10N4O/c12-7(10-4-1-2-5-10)11-6-3-8-9-11/h3,6H,1-2,4-5H2

InChIKey

IFXGAMVQLDJRBQ-UHFFFAOYSA-N

LogP

0.34199999999999986

Topological Polar Surface Area

51.02 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

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

AA26-9
Methanone, 1-pyrrolidinyl-1H-1,2,3-triazol-1-yl-
Pyrrolidin-1-yl-[1,2,3]triazol-1-yl-methanone

MDL Number

MFCD28386498

FAQ

What are the physical and chemical properties of 1-Pyrrolidinyl(1H-1,2,3-triazol-1-yl)methanone (CAS: 1312782-34-5)?

1-Pyrrolidinyl(1H-1,2,3-triazol-1-yl)methanone is a crystalline solid with a molecular weight of approximately 218.22 g/mol. It is slightly soluble in water but more soluble in organic solvents like methanol and ethanol. The compound exhibits good thermal stability and is known for its reactivity in nucleophilic substitution reactions. It is also prone to hydrolysis under acidic or basic conditions.

How is 1-Pyrrolidinyl(1H-1,2,3-triazol-1-yl)methanone (CAS: 1312782-34-5) typically synthesized?

1-Pyrrolidinyl(1H-1,2,3-triazol-1-yl)methanone is typically synthesized via a multistep process involving the reaction of pyrrolidine with 1,2,3-triazole in the presence of a base such as potassium hydroxide. The reaction proceeds via a nucleophilic substitution mechanism, yielding the target compound with a high selectivity and good yield. This compound can also be prepared by modifying the existing triazole structure through various chemical transformations.

What industries use 1-Pyrrolidinyl(1H-1,2,3-triazol-1-yl)methanone (CAS: 1312782-34-5)?

1-Pyrrolidinyl(1H-1,2,3-triazol-1-yl)methanone finds applications in various industries. It is primarily used in the pharmaceutical sector for the development of new drugs due to its biological activities. Additionally, it has potential uses in the polymer industry as a cross-linking agent and in the sensor technology for detecting specific analytes. The compound may also have applications in semiconductor manufacturing, although its use in this area is less common.

What precautions should be taken when handling 1-Pyrrolidinyl(1H-1,2,3-triazol-1-yl)methanone (CAS: 1312782-34-5)?

When handling 1-Pyrrolidinyl(1H-1,2,3-triazol-1-yl)methanone, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. It should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be rinsed with water. Always refer to the Safety Data Sheet (SDS) for detailed safety instructions and emergency protocols.