Phenol, 4-[(4-methoxyphenyl)amino]-

Base Information

• Chemical Name: Phenol, 4-[(4-methoxyphenyl)amino]-
• CAS No.: 27151-54-8
• Molecular Formula: C13H13 N O2
• Molecular Weight: 215.252
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID8067280
• Nikkaji Number: J422.194J
• Wikidata: Q81993858
• Mol file: 27151-54-8.mol

Synonyms:4-(4-methoxyanilino)phenol;Phenol, 4-[(4-methoxyphenyl)amino]-;27151-54-8;Phenol, p-(p-anisidino)-;Phenol, 4-((4-methoxyphenyl)amino)-;SCHEMBL7256133;DTXSID8067280;4-[(4-methoxyphenyl)amino]-phenol

Chemical Property of Phenol, 4-[(4-methoxyphenyl)amino]-

Chemical Property:

• Vapor Pressure: 7.05E-06mmHg at 25°C
• Boiling Point: 366.2°C at 760 mmHg
• Flash Point: 175.3°C
• PSA: 41.49000
• Density: 1.209g/cm³
• LogP: 3.21740
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 215.094628657
• Heavy Atom Count: 16
• Complexity: 194

Purity/Quality:

99% ^*data from raw suppliers

4-[(4-Methoxyphenyl)amino]phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NC2=CC=C(C=C2)O
• Uses: 4-[(4-Methoxyphenyl)amino]phenol is a by-product intermediate during the synthesis of 4,4''-Iminodiphenol (I409010), which is derived from 4,4''-Dimethoxydiphenylamine (D461065), a diphenylamine derivative used as a chemical additive for cured rubber. 4,4''-Dimethoxydiphenylamine is highly toxic and may potentially induce chromosome abberation.

Technology Process of Phenol, 4-[(4-methoxyphenyl)amino]-

There total 5 articles about Phenol, 4-[(4-methoxyphenyl)amino]- 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: 85.0%

1-bromo-4-methoxy-benzene (104-92-7) + 4-amino-phenol (123-30-8) → N-p-methoxyphenyl-4-hydroxyaniline (27151-54-8)

Guidance literature:

With potassium phosphate; copper(l) iodide; N′-phenyl-N′-(o-tolyl)-1H-pyrrole-2-carbohydrazide; In diethylene glycol; at 25 ℃; for 96h; Sealed tube;

Reference yield: 84.0%

para-iodoanisole (696-62-8) + 4-amino-phenol (123-30-8) → N-p-methoxyphenyl-4-hydroxyaniline (27151-54-8)

Guidance literature:

With potassium phosphate; copper(l) iodide; N′,N′-diphenyl-1H-pyrrole-2-carbohydrazide; In diethylene glycol; at 20 ℃; Sealed tube;

DOI:10.1021/acs.joc.7b00290

Reference yield:

para-methoxynitrobenzene (100-17-4) + phenol (108-95-2,27073-41-2) → N-p-methoxyphenyl-4-hydroxyaniline (27151-54-8)

Guidance literature:

With hydrogen fluoride; palladium; Hydrogenation;

DOI:10.1021/ja01612a012

upstream raw materials:

4-methoxy-aniline

hydroquinone

para-methoxynitrobenzene

phenol

Downstream raw materials:

potassium [4-(4-methoxyphenylamino)phenoxy]acetate

C₁₆H₁₆N₂O₅