4-(1H-Pyrrol-1-yl)aniline

Base Information

• Chemical Name: 4-(1H-Pyrrol-1-yl)aniline
• CAS No.: 52768-17-9
• Molecular Formula: C10H10N2
• Molecular Weight: 158.203
• Hs Code.: 2933990090
• European Community (EC) Number: 692-384-7
• DSSTox Substance ID: DTXSID10383679
• Nikkaji Number: J2.608.164E
• Wikidata: Q27465431
• Mol file: 52768-17-9.mol

Synonyms:4-(1H-Pyrrol-1-yl)aniline;52768-17-9;4-pyrrol-1-ylaniline;4-(1-Pyrrolyl)aniline;4-Pyrrol-1-yl-phenylamine;Benzenamine, 4-(1H-pyrrol-1-yl)-;MFCD01934575;SNU;1-p-amino-phenylazole;4-Pyrrol-1-yl-aniline;1-(4-aminophenyl)pyrrole;1-(4-amino-phenyl)pyrrole;SCHEMBL296099;4-(1H-pyrrol-1-yl) aniline;DTXSID10383679;CCA76817;BBL009666;STL141016;AKOS000345098;AC-7271;PS-4635;SB63924;SDCCGMLS-0066061.P001;CS-10251;SY005455;CS-0067948;FT-0616481;EN300-96847;A870905;J-513226;Q27465431

Chemical Property of 4-(1H-Pyrrol-1-yl)aniline

Chemical Property:

• Vapor Pressure: 0.000707mmHg at 25°C
• Melting Point: 81 °C
• Refractive Index: 1.602
• Boiling Point: 307.8°Cat760mmHg
• PKA: 3.36±0.10(Predicted)
• Flash Point: 140°C
• PSA: 30.95000
• Density: 1.09g/cm³
• LogP: 2.64070
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 158.084398327
• Heavy Atom Count: 12
• Complexity: 133

Purity/Quality:

98%Min ^*data from raw suppliers

4-(1H-Pyrrol-1-yl)aniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(1H-Pyrrol-1-yl)aniline

There total 13 articles about 4-(1H-Pyrrol-1-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: 98.0%

pyrrole (109-97-7,30604-81-0) + p-aminoiodobenzene (540-37-4) → 4-(1H-pyrrol-1-yl)aniline (52768-17-9)

Guidance literature:

With 1-hydroxy-pyrrolidine-2,5-dione; copper(l) iodide; sodium methylate; In dimethyl sulfoxide; at 90 ℃; for 12h;

DOI:10.1021/jo7015983

Reference yield: 94.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 1,4-phenylenediamine (106-50-3) → 4-(1H-pyrrol-1-yl)aniline (52768-17-9)

Guidance literature:

With ionic liquid immobilized on γ-Fe₂O₃(at)SiO₂ nanoparticles; In water; at 100 ℃; for 1.66667h;

DOI:10.1016/j.apcata.2013.03.005

Reference yield: 91.0%

N-(4-nitrophenyl)pyrrole (4533-42-0) → 4-(1H-pyrrol-1-yl)aniline (52768-17-9)

Guidance literature:

With hydrazine hydrate; In ethanol; at 70 ℃; for 4h; chemoselective reaction;

DOI:10.1016/j.apcata.2016.04.004

upstream raw materials:

N-(4-nitrophenyl)pyrrole

pyrrole

p-aminoiodobenzene

1-(4-chlorophenyl)-1H-pyrrole

Downstream raw materials:

benzyloxycarbonyl-Leu-4-pyrrolylanilide

4-hydroxy-6-(pyrrol-1-yl)quinoline-3-carboxylic acid

N-(4-(1-pyrrolyl)phenyl)salicylaldimine

Refernces

• 1、 -. "Novel substituted benzoyl compound and its pharmaceutically acceptable salt and preparation method and application (by machine translation)". Paragraph 0045; 0048; 0056-0057. . Retrieved 2019/11/13.
• 2、 -. "HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE". Paragraph 0266-0267. . Retrieved 2019/05/15.