N1,N1-Bis(4-(diphenylamino)phenyl)-N4,N4-diphenylbenzene-1,4-diamine

Base Information

• Chemical Name: N1,N1-Bis(4-(diphenylamino)phenyl)-N4,N4-diphenylbenzene-1,4-diamine
• CAS No.: 105389-36-4
• Molecular Formula: C54H42N4
• Molecular Weight: 746.954
• Hs Code.: 2921590090
• DSSTox Substance ID: DTXSID30449463
• Nikkaji Number: J954.838F
• Wikidata: Q72515114
• Mol file: 105389-36-4.mol

Synonyms:105389-36-4;N1,N1-Bis(4-(diphenylamino)phenyl)-N4,N4-diphenylbenzene-1,4-diamine;4,4',4''-Tris(diphenylamino)triphenylamine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;Tris[4-(diphenylamino)phenyl]amine;1,4-Benzenediamine, N,N-bis[4-(diphenylamino)phenyl]-N',N'-diphenyl-;TDATA;4,4',4"-Tris(N,N-diphenylamino)triphenylamine [TDATA];N1,N1-bis[4-(diphenylamino)phenyl]-N4,N4-diphenylbenzene-1,4-diamine;4,4'4"-tris(n,n-diphenylamino)triphenylamine;4,4',4''-Tris(n,n-diphenylamino)triphenylamine;SCHEMBL36869;tris(4-diphenylaminophenyl)amine;DTXSID30449463;MFCD01310677;AKOS005145700;AS-72382;FT-0737353;T3062;T71563;4,4',4"-tris(n,n-diphenyl-amino)triphenylamine;4,4',4'-Tris(N,N-diphenyl-amino)-triphenylamine;A851661;4,4,4-Tris(N,N-diphenylamino)triphenylamine [TDATA];4,4',4''-Tris(diphenylamino)triphenylamine, >/=97%;4,4,4-TRIS(N,N-DIPHENYL-AMINO)-TRIPHENYLAMINE

Chemical Property of N1,N1-Bis(4-(diphenylamino)phenyl)-N4,N4-diphenylbenzene-1,4-diamine

Chemical Property:

• Melting Point: 247-249 °C
• PKA: -1.39±0.60(Predicted)
• PSA: 12.96000
• Density: 1.216 g/cm³
• LogP: 15.56580
• Storage Temp.: 2-8°C
• XLogP3: 14.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 746.34094736
• Heavy Atom Count: 58
• Complexity: 933

Purity/Quality:

99% ^*data from raw suppliers

4,4',4''-Tris(diphenylamino)triphenylamine >97.0%(HPLC)(N) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9

Technology Process of N1,N1-Bis(4-(diphenylamino)phenyl)-N4,N4-diphenylbenzene-1,4-diamine

There total 4 articles about N1,N1-Bis(4-(diphenylamino)phenyl)-N4,N4-diphenylbenzene-1,4-diamine 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: 84.0%

tri(p-bromophenyl)amine (4316-58-9) + lithium diphenylamide (5856-89-3) → tris(4-diphenylaminophenyl)amine (105389-36-4)

Guidance literature:

With 2Pd; tris-(o-tolyl)phosphine; In toluene; at 110 ℃;

DOI:10.1021/ja972806d

Reference yield: 67.1%

tris(4-iodophenyl)amine (4181-20-8) + diphenylamine (122-39-4) → tris(4-diphenylaminophenyl)amine (105389-36-4)

Guidance literature:

With tri-tert-butylphosphine; potassium tert-butylate; palladium diacetate; In o-xylene; at 120 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c6ta10127e

Reference yield:

4-N,N-diphenylamino-1-bromobenzene (36809-26-4) → tris(4-diphenylaminophenyl)amine (105389-36-4)

Guidance literature:

With sodium t-butanolate; palladium diacetate; In toluene; for 18h; Heating;

DOI:10.1016/j.tetlet.2007.10.115

upstream raw materials:

tris(4-iodophenyl)amine

diphenylamine

tri(p-bromophenyl)amine

lithium diphenylamide

Refernces

• 1、 Bedford, Robin B.,Betham, Michael. "Hydroxylamine O-benzyl ether as an ammonia equivalent in the catalytic amination of aryl halides". . p. 8947 - 8950. Retrieved 2007.
• 2、 Shirota, Yasuhiko,Kobata, Tomokazu,Noma, Naoki. "Starburst Molecules for Amorphous Molecular Materials. 4,4',4''-Tris(N,N-diphenylamino)triphenylamine and 4,4',4''-Tristriphenylamine". . p. 1145 - 1148. Retrieved 2007/10/02.