4-[2-(Trifluoromethyl)phenoxy]piperidine

Basic Information

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CAS Number

824390-04-7

Molecular Formula

C12H14F3NO

Molecular Weight

245.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

301ºC

Density

1.193

Water Solubility

Slightly soluble in water.

Flash Point

136ºC

SMILES

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C1CNCCC1OC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-2-4-11(10)17-9-5-7-16-8-6-9/h1-4,9,16H,5-8H2

InChIKey

MBZJEIRMMYDAFD-UHFFFAOYSA-N

LogP

2.8362000000000007

Topological Polar Surface Area

21.259999999999998 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

238

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-[2-(trifluoromethyl)phenoxy)piperidine
4-(2-(trifluoromethyl)phenoxy)piperidine
BCP23190
Piperidine, 4-[2-(trifluoromethyl)phenoxy]-
MFCD06248881
4-(2-TRIFLUOROMETHYLPHENOXY)PIPERIDINE
4-2-(Trifluoromethyl)phenoxy piperidine;4-(2-Trifluoromethyl-phQSy)piperidine;Piperidine, 4-[2-(trifluoroMethyl)phenoxy]-
4-[2-(trifluoromethyl)-phenoxy]-piperidine
SB43209
4-[2-(trifluoromethyl) phenoxy]piperidine
4-[2-(trifluoromethyl)phenoxy]-piperidine
FT-0678071
4-(2-Trifluoromethyl-Phenoxy)-Piperidine
4-(2-TrifluoroMethyl-phenoxy)piperidine
4-[(2-Trifluoromethylphenyl)oxy]piperidine
SCHEMBL83377
4-[2-(trifluoromethyl)phenoxy]piperidine
AM20041209
4-[2-{Trifluoromethyl}phenoxy]piperidine
AKOS000181167
824390-04-7
DTXSID60407571
4-(2-(Trifluoromethyl)phenoxy)piperidine
4-[2-(Trifluoromethyl)phenoxy]piperidine
4-2-(Trifluoromethyl)phenoxyüpiperidine
4-(2-Trifluoromethyl-phQSy)piperidine
4-(2-(Trifluoromethyl)phexy)piperidine
4-(2-Trifluoromethyl-phenoxy)piperidine

MDL Number

MFCD06248881

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 4-[2-(Trifluoromethyl)phenoxy]piperidine (CAS: 824390-04-7)?

4-[2-(Trifluoromethyl)phenoxy]piperidine is a white crystalline solid with a molecular weight of approximately 323.14 g/mol. It is slightly soluble in water but soluble in organic solvents such as ethanol and chloroform. Chemically, it is relatively stable but can react with strong acids to form less stable derivatives. The compound has a pKa of around 7.5 and is known for its potent agonist activity at muscarinic receptors.

How is 4-[2-(Trifluoromethyl)phenoxy]piperidine (CAS: 824390-04-7) typically synthesized?

4-[2-(Trifluoromethyl)phenoxy]piperidine is synthesized via a multistep procedure involving the protection of a piperidine ring, followed by introduction of the trifluoromethyl group, and finally deprotection. Commonly used reagents include trifluoromethyl chlorides, protecting agents like tert-butyldiphenylsilyl chloride, and various protecting and deprotecting strategies. The overall yield can range from 50-70%, depending on the purification and reaction conditions.

What industries use 4-[2-(Trifluoromethyl)phenoxy]piperidine (CAS: 824390-04-7)?

4-[2-(Trifluoromethyl)phenoxy]piperidine is primarily used in the pharmaceutical industry for developing muscarinic receptor agonists. It also finds applications in sensors and as a research tool in medicinal chemistry. Due to its chemical stability and biological activity, it is a valuable compound in the development of new drugs and in understanding receptor interactions.

What precautions should be taken when handling 4-[2-(Trifluoromethyl)phenoxy]piperidine (CAS: 824390-04-7)?

When handling 4-[2-(Trifluoromethyl)phenoxy]piperidine, ensure the use of personal protective equipment (PPE) such as gloves and goggles. Work in a fume hood to minimize exposure. Store the compound in a cool, dry place away from incompatible materials. In case of spill, neutralize the spill with a suitable reagent and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.