4-[(4-Methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)aniline

Basic Information

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CAS Number

694499-26-8

Molecular Formula

C13H18F3N3

Molecular Weight

273.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

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

Melting Point

110-116°C

Density

1.2

Refractive Index

1.52

SMILES

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CN1CCN(CC1)CC2=C(C=C(C=C2)N)C(F)(F)F

InChI

InChI=1S/C13H18F3N3/c1-18-4-6-19(7-5-18)9-10-2-3-11(17)8-12(10)13(14,15)16/h2-3,8H,4-7,9,17H2,1H3

InChIKey

ZMWAZMYBMAAMAW-UHFFFAOYSA-N

LogP

2.035

Topological Polar Surface Area

32.5 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

287

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

Z1436229823
AP-24592
EN300-246671
4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline
694499-26-8
SB17752
3-trifluoromethyl-4-(4-methylpiperazin-1-ylmethyl)-aniline
4-((4-Methylpiperazin-1-yl)methyl)-3-trifluoromethylphenylamine;4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline
AP24592
UNII-KFW56NE7FT
methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline
DTXSID60676604
AS-18507
CHEMBL4483515
FT-0698854
AKOS015902377
4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)Benzenamine
Benzenamine, 4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-
4((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)aniline
4-(4-methyl-piperazin-1-ylmethyl)-3-trifluoromethyl-aniline
4-((4-Methylpiperazin-1-yl)methyl)-3-trifluoromethylphenylamine
SCHEMBL273351
MFCD09909924
4-(4-methyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenylamine
BDBM50515022
4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline
A851925
Benzenamine, 4-((4-methyl-1-piperazinyl)methyl)-3-(trifluoromethyl)-
4-(4-Methylpiperazin-1-ylmethyl)-3-trifluoromethylaniline
4-[(4-Methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)aniline
4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethyl-aniline

MDL Number

MFCD09909924

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 4-[(4-Methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)aniline (CAS: 694499-26-8)?

The compound 4-[(4-Methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)aniline has a crystalline form and a molecular weight of approximately 365.04 g/mol. It has a low solubility in water but shows good solubility in organic solvents such as DMSO and acetonitrile. It is moderately reactive, particularly in acidic conditions. The compound is not flammable and does not have notable reactivity with common reagents.

How is 4-[(4-Methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)aniline (CAS: 694499-26-8) typically synthesized?

This compound is typically synthesized through multistep organic reactions, often involving the coupling of an aniline with a piperazine derivative in the presence of a suitable base and a coupling agent. Commonly used catalysts include triphenylphosphine and a suitable base such as triethylamine. The reaction yields are generally around 75-85%, and the method is highly selective for the desired product.

What industries use 4-[(4-Methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)aniline (CAS: 694499-26-8)?

This compound is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various medications. It also finds applications in polymer chemistry for the development of novel materials with specific properties, and in sensor technologies for detecting certain analytes. Additionally, it is used in semiconductor manufacturing for specific etching and cleaning processes.

What precautions should be taken when handling 4-[(4-Methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)aniline (CAS: 694499-26-8)?

When handling this compound, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials. The material safety data sheet (MSDS) should be referenced for detailed information on storage, disposal, and emergency response procedures.