N,N',N''-Triphenyl-1,3,5-benzenetriamine

Base Information

• Chemical Name: N,N',N''-Triphenyl-1,3,5-benzenetriamine
• CAS No.: 102664-66-4
• Molecular Formula: C24H21N3
• Molecular Weight: 351.451
• Hs Code.: 2921590090
• NSC Number: 19926
• DSSTox Substance ID: DTXSID60281055
• Nikkaji Number: J361.447F
• Wikidata: Q82014791
• Mol file: 102664-66-4.mol

Synonyms:N,N',N''-Triphenyl-1,3,5-benzenetriamine;102664-66-4;1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine;1,3,5-Tris(phenylamino)benzene;NSC19926;N1,N3,N5-triphenylbenzene-1,3,5-triamine;N~1~,N~3~,N~5~-Triphenyl-1,3,5-benzenetriamine;1,3,5-Benzenetriamine, N1,N3,N5-triphenyl-;Oprea1_289480;SCHEMBL2852704;DTXSID60281055;1,3,5-tris-(phenylamino)benzene;MFCD01463903;NSC-19926;AKOS025293982;CS-W011861;SB83678;AC-27937;DS-10053;T1831;D83048;A896740;AE-562/12222752

Chemical Property of N,N',N''-Triphenyl-1,3,5-benzenetriamine

Chemical Property:

• Melting Point: 198 °C
• Boiling Point: 530.6 °C at 760 mmHg
• PKA: 1.36±0.50(Predicted)
• Flash Point: 297.9 °C
• PSA: 36.09000
• Density: 1.222 g/cm³
• LogP: 7.13640
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 351.173547683
• Heavy Atom Count: 27
• Complexity: 334

Purity/Quality:

98%,99%, ^*data from raw suppliers

N,N'',N''''-Triphenyl-1,3,5-benzenetriamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=CC(=CC(=C2)NC3=CC=CC=C3)NC4=CC=CC=C4

Technology Process of N,N',N''-Triphenyl-1,3,5-benzenetriamine

There total 7 articles about N,N',N''-Triphenyl-1,3,5-benzenetriamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

3,5-dihydroxyphenol (108-73-6) + aniline (62-53-3) → N1,N3,N5-triphenylbenzene-1,3,5-triamine (102664-66-4)

Guidance literature:

With hydrogenchloride; at 20 - 190 ℃; for 2h;

DOI:10.1039/b002928i

Reference yield: 85.0%

1,3,5-trichlorobenzene (108-70-3,63697-19-8) + aniline (62-53-3) → N1,N3,N5-triphenylbenzene-1,3,5-triamine (102664-66-4)

Guidance literature:

With potassium tert-butylate; C₆₆H₉₂Cl₃N₃Pd; In n-heptane; at 100 ℃; for 4h;

DOI:10.1002/chem.202103341

Reference yield: 75.0%

1,3,5-trisbromobenzene (626-39-1) + aniline (62-53-3) → N1,N3,N5-triphenylbenzene-1,3,5-triamine (102664-66-4)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; In toluene; for 72h; Inert atmosphere; Reflux;

DOI:10.3390/molecules20034635

upstream raw materials:

3,5-dihydroxyphenol

aniline

2,4,6-trihydroxy-benzene-1,3-disulfonyl chloride

2,4,6-trihydroxybenzene-1,3,5-trisulfonic acid

Downstream raw materials:

1,3,5-Tris[(4-methylphenyl)phenylamino]benzene

1,3,5-Tris[(3-methylphenyl)phenylamino]benzene

N¹,N¹,N³,N³,N⁵,N⁵-hexaphenyl-1,3,5-benzenetriamine

Refernces

• 1、 Lee, Chang Ho,Kim, Seung Wook,Oh, Se Young. "Structural effects of TDAB amorphous hole transporting materials on performance of organic EL device". . p. 53 - 56. Retrieved 2001.
• 2、 Yin, He,Wang, Min,Yu, Tzuyang,Tan, Loon-Seng,Chiang, Long Y. "3D-Conformer of tris[60]fullerenylated cis-Tris(diphenylamino-fluorene) as photoswitchable charge-polarizer on GHz-responsive trilayered core-shell dielectric nanoparticles". . . Retrieved 2018.
• 3、 Yin, He,Wang, Min,Tan, Loon-Seng,Chiang, Long Y.. "Synthesis and Intramolecular Energy- And Electron-Transfer of 3D-Conformeric Tris(fluorenyl-[60]fullerenylfluorene) Derivatives". . . Retrieved 2019.