3-(1H-pyrrol-1-yl)aniline

Base Information

• Chemical Name: 3-(1H-pyrrol-1-yl)aniline
• CAS No.: 89353-42-4
• Molecular Formula: C10H10 N2
• Molecular Weight: 158.203
• Hs Code.: 2933990090
• European Community (EC) Number: 673-842-5
• DSSTox Substance ID: DTXSID70375217
• Wikidata: Q72505720
• ChEMBL ID: CHEMBL1328721
• Mol file: 89353-42-4.mol

Synonyms:3-(1H-pyrrol-1-yl)aniline;89353-42-4;3-pyrrol-1-ylaniline;3-Pyrrol-1-yl-phenylamine;MFCD03407309;3-(1-pyrrolyl)aniline;MLS000718576;SCHEMBL632230;3-(1H-pyrrol-1-yl) aniline;CHEMBL1328721;DTXSID70375217;PJGDCPOPSNUYHC-UHFFFAOYSA-N;HMS1697E17;HMS2668A18;BBL009667;STK796797;AKOS000101307;FG-0417;SB62205;SDCCGMLS-0066035.P001;3-(1H-pyrrol-1-yl)aniline, AldrichCPR;SMR000290843;CS-0245680;FT-0642120;EN300-30908;F11186;A843137;J-510433;F5608-0074;Z111423526

Chemical Property of 3-(1H-pyrrol-1-yl)aniline

Chemical Property:

• Vapor Pressure: 0.000263mmHg at 25°C
• Melting Point: 43-44°C
• Refractive Index: 1.602
• Boiling Point: 323.4 °C
• Flash Point: 149.4°C
• PSA: 30.95000
• Density: 1.09 g/cm³
• LogP: 2.64070
• 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: 141

Purity/Quality:

98%min ^*data from raw suppliers

3-(1H-Pyrrol-1-yl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(1H-pyrrol-1-yl)aniline

There total 9 articles about 3-(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: 92.0%

pyrrole (109-97-7,30604-81-0) + 3-Iodoaniline (626-01-7) → 1-(3-aminophenyl)-1H-pyrrole (89353-42-4)

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: 82.1%

1-(3-nitrophenyl)-1H-pyrazole (4310-42-3) → 1-(3-aminophenyl)-1H-pyrrole (89353-42-4)

Guidance literature:

With palladium on activated charcoal; hydrazine hydrate; In ethanol; at 20 ℃; for 0.5h;

Reference yield: 72.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 3-nitro-aniline (99-09-2) → 1-(3-aminophenyl)-1H-pyrrole (89353-42-4)

Guidance literature:

With tin(II) chloride dihdyrate; In water; Reflux;

DOI:10.14233/ajchem.2020.22454

upstream raw materials:

1-(3-nitrophenyl)-1H-pyrazole

pyrrole

3-Iodoaniline

3-nitro-aniline

Downstream raw materials:

methyl 5-chloro-2-{[(2-oxo-2-{[3-(1H-pyrrol-1-yl)phenyl]amino}ethoxy)acetyl]amino}benzoate

5-chloro-2-([(2-oxo-2-([3-(1H-pyrrol-1-yl)phenyl]amino)ethoxy)acetyl]amino)benzoic acid sodium salt

diethyl 3-(1-pyrrolyl)anilinomethylenemalonate

Refernces

• 1、 Tejeswararao,Srikanth. "SnCl2 catalyzed direct synthesis of pyrroles under aqueous conditions". . p. 795 - 802. Retrieved 2020/03/24.
• 2、 Nmeth, Jnos,Debreczeni, Nra,Gresits, Ivn,Blint, Mria,Hell, Zoltn. "An efficient heterogeneous catalytic method for the N-arylation of pyrrole and other N-heterocycles". . p. 1113 - 1119. Retrieved 2015/08/06.