3-(Diphenylamino)phenol

Base Information

• Chemical Name: 3-(Diphenylamino)phenol
• CAS No.: 107396-23-6
• Molecular Formula: C18H15NO
• Molecular Weight: 261.323
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID10561379
• Nikkaji Number: J133.174D
• Wikidata: Q82445166
• Mol file: 107396-23-6.mol

Synonyms:3-(Diphenylamino)phenol;107396-23-6;3-DIPHENYLAMINO-PHENOL;3-(N-phenylanilino)phenol;C18H15NO;3-hydroxytriphenylamine;3-(Diphenylamine)phenol;3-(N,N-diphenylamino)phenol;SCHEMBL1672628;DTXSID10561379;PLALNMFIFWIUFQ-UHFFFAOYSA-N;SB30485;CS-0440750

Chemical Property of 3-(Diphenylamino)phenol

Chemical Property:

• Boiling Point: 431.6±28.0 °C(Predicted)
• PKA: 9.85±0.10(Predicted)
• PSA: 23.47000
• Density: 1.193±0.06 g/cm3(Predicted)
• LogP: 4.86200
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 261.115364102
• Heavy Atom Count: 20
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

3-Diphenylamino-phenol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC(=CC=C3)O

Technology Process of 3-(Diphenylamino)phenol

There total 16 articles about 3-(Diphenylamino)phenol 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: 93.0%

3-(diphenylamino)-2-iodocyclohex-2-enone (1220515-72-9) → N-(3-hydroxyphenyl)-diphenylamine (107396-23-6)

Guidance literature:

With potassium carbonate; In acetonitrile; at 100 ℃; for 4h;

DOI:10.1002/adsc.201700004

Reference yield: 86.0%

N-(3-methoxyphenyl)-diphenylamine (20588-62-9) → N-(3-hydroxyphenyl)-diphenylamine (107396-23-6)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃; for 8h;

DOI:10.1021/ol034268h

Reference yield: 82.0%

[bis(acetoxy)iodo]benzene (3240-34-4) + 3-phenylaminocyclohex-2-enone (24706-50-1) → N-(3-hydroxyphenyl)-diphenylamine (107396-23-6)

Guidance literature:

With potassium carbonate; In acetonitrile; at 100 ℃; for 7h; regiospecific reaction; Green chemistry;

DOI:10.1002/adsc.201700004

upstream raw materials:

N-(3-methoxyphenyl)-diphenylamine

iodobenzene

m-Anisidine

3-Bromophenol

Downstream raw materials:

C₂₇H₁₈N₄O₂

7-(diphenylamino)-4-methoxy-2H-chromen-2-one

Refernces

• 1、 Zhao, Na,Ma, Chengcheng,Yang, Weiyao,Yin, Wei,Wei, Jiahui,Li, Nan. "Facile construction of boranil complexes with aggregation-induced emission characteristics and their specific lipid droplet imaging applications". . p. 8494 - 8497. Retrieved 2019.
• 2、 Chu, Wendao,Jiang, Weidong,Liu, Xiaoqiang,Shu, Jun,Xu, Bin,Zhang, Kaiming. "Rational design of coumarin fluorophore with solvatochromism, AIE and mechanofluorochromic enhancement properties". . . Retrieved 2021.
• 3、 -. "Aggregation-induced emission type fluorescent materials, preparation method and application". Paragraph 0038; 0041-0042. . Retrieved 2019/07/05.