4-(1-Benzofuran-2-yl)aniline

Base Information

• Chemical Name: 4-(1-Benzofuran-2-yl)aniline
• CAS No.: 782-18-3
• Molecular Formula: C14H11NO
• Molecular Weight: 209.247
• Hs Code.: 2932999099
• European Community (EC) Number: 856-824-3
• DSSTox Substance ID: DTXSID60352173
• Nikkaji Number: J3.305.503J
• Wikidata: Q82129187
• Mol file: 782-18-3.mol

Synonyms:4-(1-benzofuran-2-yl)aniline;782-18-3;4-(Benzofuran-2-yl)aniline;TimTec1_000904;Oprea1_660093;SCHEMBL791728;DTXSID60352173;HMS1536J02;4-(1-benzo[b]furan-2-yl)aniline;BBL002162;MFCD01078584;STK803102;AKOS000216159;NCGC00174998-01;NCGC00174998-02;CS-0117025;EN300-10452;AB01115455-03;BRD-K04254184-001-02-8;Z56347352

Chemical Property of 4-(1-Benzofuran-2-yl)aniline

Chemical Property:

• Vapor Pressure: 1.01E-05mmHg at 25°C
• Boiling Point: 371.8°C at 760 mmHg
• Flash Point: 178.7°C
• PSA: 39.16000
• Density: 1.203g/cm³
• LogP: 4.26320
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 209.084063974
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

NLT 98% ^*data from raw suppliers

4-(1-benzofuran-2-yl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(O2)C3=CC=C(C=C3)N

Technology Process of 4-(1-Benzofuran-2-yl)aniline

There total 10 articles about 4-(1-Benzofuran-2-yl)aniline 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: 99.5%

benzofuran-2-boronic acid (98437-24-2) + p-aminoiodobenzene (540-37-4) → 4-(benzofuran-2-yl)benzenamine (782-18-3)

Guidance literature:

With sodium carbonate; dichlorobis(tri-O-tolylphosphine)palladium; In 1,2-dimethoxyethane; ethanol; water; at 125 ℃; for 2h;

Reference yield: 98.0%

salicylaldehyde (90-02-8) + 1-bromomethyl-4-nitro-benzene (100-11-8) → 4-(benzofuran-2-yl)benzenamine (782-18-3)

Guidance literature:

salicylaldehyde; 1-bromomethyl-4-nitro-benzene; With potassium tert-butylate; In N,N-dimethyl-formamide; for 12h; Reflux;

With hydrazine hydrate; In methanol; at 0 - 20 ℃; for 3h;

Reference yield: 94.0%

2-benzofuranylboronic acid mida ester (1104637-65-1) + 4-bromo-aniline (106-40-1) → 4-(benzofuran-2-yl)benzenamine (782-18-3)

Guidance literature:

With dichloro[1,1′-bis[bis(1,1-dimethylethyl)phosphino]ferrocene-P,P′]palladium; TPGS-750-M; triethylamine; In water; at 20 ℃; Inert atmosphere;

DOI:10.1021/ja409663q

upstream raw materials:

2-(4-nitrophenyl)-1-benzofurane

2-(4-nitrobenzyloxy)benzaldehyde

salicylaldehyde

1-bromomethyl-4-nitro-benzene

Downstream raw materials:

N-<4-(2-benzofuranyl)phenyl>maleamic acid

4-[2-(4-benzofuran-2yl-phenylcarbamoyl)-2-(4-bromo-phenyl)-ethyl]-benzoic acid methyl ester

C₁₇H₁₂N₂O

Br^(1-)*C₂₅H₁₉N₂O₂⁽¹⁺⁾

Refernces

• 1、 -. "Novel compound and organic light emitting device comprising the same". Paragraph 0308; 0314-0317. . Retrieved 2021/09/07.
• 2、 -. "NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME". Paragraph 0192-0193; 0198-0199. . Retrieved 2021/03/09.