2,4,6-Trimethyl-N,N-diphenylaniline

Basic Information

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CAS Number

603134-65-2

Molecular Formula

C21H21N

Molecular Weight

287.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

SMILES

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CC1=C(C(C)=CC(C)=C1)N(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N/c1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3

InChIKey

TZJRFZZCRASCAW-UHFFFAOYSA-N

LogP

6.081660000000005

Topological Polar Surface Area

3.24 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Synonyms & References

English

2,4,6-Trimethyl-N,N-diphenylaniline
Benzenamine, 2,4,6-trimethyl-N,N-diphenyl-
TAA
N,N-diphenyl-2,4,6-trimethylaniline

MDL Number

MFCD22200048

FAQ

What are the physical and chemical properties of 2,4,6-Trimethyl-N,N-diphenylaniline (CAS: 603134-65-2)?

2,4,6-Trimethyl-N,N-diphenylaniline is a solid at room temperature with a crystalline form. Its molecular weight is approximately 318.35 g/mol. It has low solubility in water but is more soluble in organic solvents like ethanol and acetone. This compound is relatively stable but can react with strong oxidizing agents. It has a melting point around 110-115°C and is not flammable.

How is 2,4,6-Trimethyl-N,N-diphenylaniline (CAS: 603134-65-2) typically synthesized?

2,4,6-Trimethyl-N,N-diphenylaniline is synthesized through the reduction of 2,4,6-trimethyl-N,N-diphenyl-p-benzoquinone with a suitable reducing agent such as sodium borohydride in a solvent like methanol. The reaction conditions involve controlling temperature and pH to achieve high yield and selectivity. The process typically requires a fume hood due to the formation of volatile byproducts.

What industries use 2,4,6-Trimethyl-N,N-diphenylaniline (CAS: 603134-65-2)?

2,4,6-Trimethyl-N,N-diphenylaniline is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly in compounds containing aromatic heterocycles. It also finds applications in the production of polymers, where it serves as a stabilizer. Additionally, it is used in the development of organic sensors and semiconductors for its unique physicochemical properties.

What precautions should be taken when handling 2,4,6-Trimethyl-N,N-diphenylaniline (CAS: 603134-65-2)?

When handling 2,4,6-Trimethyl-N,N-diphenylaniline, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Always perform the reaction in a well-ventilated area, preferably in a fume hood, to avoid inhalation of volatile substances. Store the compound in a cool, dry place away from direct sunlight and heat sources. In case of a spill, immediately contain it and follow proper waste disposal procedures. Refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.