2-Ethynyl-5-(trifluoromethyl)pyridine

Basic Information

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CAS Number

379670-42-5

Molecular Formula

C8H4F3N

Molecular Weight

171.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

SMILES

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C#CC1=NC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C8H4F3N/c1-2-7-4-3-6(5-12-7)8(9,10)11/h1,3-5H

InChIKey

PISOZFXTSONWKH-UHFFFAOYSA-N

Complexity

200

Synonyms & References

English

PS-6661
2-ethynyl-5-(trifluoromethyl)pyridine
Z1255440215
SCHEMBL14973267
D79798
PISOZFXTSONWKH-UHFFFAOYSA-N
EN300-1703552
F2167-2841
AB68977
CS-0100908
AKOS016013839
DTXSID40744330
379670-42-5
MFCD13189717
2-Ethynyl-5-(trifluoromethyl)pyridine

MDL Number

MFCD13189717

FAQ

What are the physical and chemical properties of 2-Ethynyl-5-(trifluoromethyl)pyridine (CAS: 379670-42-5)?

2-Ethynyl-5-(trifluoromethyl)pyridine (CAS: 379670-42-5) is a crystalline solid with a molecular weight of approximately 218.07 g/mol. It has a low solubility in water but is more soluble in organic solvents like dichloromethane and acetone. It is moderately reactive, particularly with nucleophiles. It is prone to undergo substitution reactions and can form stable complexes with certain metal ions.

How is 2-Ethynyl-5-(trifluoromethyl)pyridine (CAS: 379670-42-5) typically synthesized?

2-Ethynyl-5-(trifluoromethyl)pyridine can be synthesized via the acetylene coupling reaction of 3-chloro-5-(trifluoromethyl)pyridine with acetylene in the presence of a palladium catalyst. The reaction is carried out in an inert atmosphere to avoid decomposition. The yield is typically around 70-80%, and the reaction mixture is then purified by recrystallization.

What industries use 2-Ethynyl-5-(trifluoromethyl)pyridine (CAS: 379670-42-5)?

2-Ethynyl-5-(trifluoromethyl)pyridine is primarily used in the pharmaceutical industry for the synthesis of complex organic molecules and as a building block in medicinal chemistry. It is also used in the semiconductor industry for the production of precursors for gas-phase deposition processes. Additionally, it has applications in the development of sensors and as a ligand in coordination chemistry.

What precautions should be taken when handling 2-Ethynyl-5-(trifluoromethyl)pyridine (CAS: 379670-42-5)?

When handling 2-Ethynyl-5-(trifluoromethyl)pyridine (CAS: 379670-42-5), it is important to wear protective gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize inhalation risks. Avoid contact with skin and eyes. In case of a spill, immediately clean up using appropriate absorbent materials and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed emergency procedures and handling instructions.