Description

2,4,6-Trimethyl-N,N-diphenylaniline (CAS No. 1333317-99-9) is a high-purity organic compound with the molecular formula C₂₁H₂₁N. This tertiary amine features a central aniline core substituted with two phenyl groups and three methyl groups at the 2, 4, and 6 positions, offering exceptional steric hindrance and electronic properties. Ideal for advanced research applications, this compound is meticulously synthesized and purified to meet stringent quality standards, ensuring consistency for photochemical, material science, and organic electronic studies. Available in various quantities, it is supplied with comprehensive analytical data (including ¹H NMR, HPLC, and GC-MS) to verify purity and structural integrity. Store under inert conditions to maintain stability.

Properties

• CAS Number: 1333317-99-9
• Complexity: 297
• IUPAC Name: 2,4,6-trimethyl-N,N-diphenyl-aniline
• 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
• InChI Key: TZJRFZZCRASCAW-UHFFFAOYSA-N
• Exact Mass: 287.167399674
• Molecular Formula: C21H21N
• Molecular Weight: 287.4
• SMILES: CC1=CC(=C(C(=C1)C)N(C2=CC=CC=C2)C3=CC=CC=C3)C
• Topological: 3.2
• Monoisotopic Mass: 287.167399674
• Synonyms: 2,4,6-Trimethyl-N,N-diphenylaniline, 603134-65-2, 1333317-99-9, N,N-diphenyl-2,4,6-triMethyl aniline, PTAA, SCHEMBL3477723, DTXSID70599416, TZJRFZZCRASCAW-UHFFFAOYSA-N, AKOS022172920, Poly(2,4,6-trimethyl-N,N-diphenylaniline), H37350, TAA; N,N-diphenyl-2,4,6-trimethylaniline, >99%(HPLC), Sublimed

Application

2,4,6-Trimethyl-N,N-diphenylaniline is widely utilized as a hole-transport material (HTM) in perovskite solar cells due to its excellent charge-carrier mobility and thermal stability. It also serves as a key intermediate in the synthesis of organic semiconductors and optoelectronic devices. Researchers employ this compound in photoredox catalysis and as a building block for conjugated polymers. Its sterically hindered structure makes it valuable for studying kinetic and thermodynamic control in organic reactions.

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