1-(4-Methylphenyl)-1H-pyrrole

Base Information

• Chemical Name: 1-(4-Methylphenyl)-1H-pyrrole
• CAS No.: 827-60-1
• Molecular Formula: C11H11N
• Molecular Weight: 157.215
• Hs Code.: 2933990090
• European Community (EC) Number: 623-038-5
• NSC Number: 116797,215973
• UNII: RVC3BT4HRH
• DSSTox Substance ID: DTXSID10297601
• Nikkaji Number: J100.849H
• Wikidata: Q82038784
• Mol file: 827-60-1.mol

Synonyms:1-(4-Methylphenyl)-1H-pyrrole;827-60-1;1-(4-Methylphenyl)pyrrole;1-p-Tolyl-1H-pyrrole;1-(p-Tolyl)-1H-pyrrole;1H-Pyrrole, 1-(4-methylphenyl)-;Pyrrole, 1-p-tolyl-;NSC-116797;NSC-215973;1-p-tolylpyrrole;NSC215973;RVC3BT4HRH;Maybridge1_007752;SCHEMBL1366622;HMS563I08;DTXSID10297601;1-(4-Methylphenyl)-1 H-pyrrole;1-(4-Methylphenyl)-1H-pyrrole #;BBL022224;CCG-54285;MFCD00799565;NSC116797;STK196652;AKOS000285853;SB62512;AS-38561;1-(1-4-METHYLPHENYL)-1H-PYRROLE;CS-0196071;FT-0605751;EN300-110918;A922899;SR-01000643391-1;Z55669144;InChI=1/C11H11N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h2-9H,1H

Chemical Property of 1-(4-Methylphenyl)-1H-pyrrole

Chemical Property:

• Vapor Pressure: 0.0348mmHg at 25°C
• Melting Point: 82-84 °C
• Refractive Index: 1.552
• Boiling Point: 250.2 °C at 760 mmHg
• Flash Point: 105.1 °C
• PSA: 4.93000
• Density: 0.96 g/cm³
• LogP: 2.78570
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 157.089149355
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

99%min ^*data from raw suppliers

1-(4-methylphenyl)-1H-pyrrole ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2C=CC=C2

Technology Process of 1-(4-Methylphenyl)-1H-pyrrole

There total 41 articles about 1-(4-Methylphenyl)-1H-pyrrole 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: 99.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + p-toluidine (106-49-0,12221-03-3) → 1-(4-methylphenyl)-1H-pyrrole (827-60-1)

Guidance literature:

With acetic acid; In water; 1,2-dichloro-ethane; for 24h; Reflux;

DOI:10.1016/j.ejmech.2021.113229

Reference yield: 97.0%

pyrrole (109-97-7,30604-81-0) + 4-tolyl iodide (624-31-7) → 1-(4-methylphenyl)-1H-pyrrole (827-60-1)

Guidance literature:

With copper phthalocyanine; sodium hydroxide; In dimethyl sulfoxide; at 100 ℃;

DOI:10.1016/j.tetlet.2017.06.067

Reference yield: 94.0%

N,N-diallyl-p-toluidine (3480-96-4) → 1-(4-methylphenyl)-1H-pyrrole (827-60-1)

Guidance literature:

With Grubbs catalyst first generation; In dichloromethane; at 100 ℃; for 0.166667h; microwave irradiation;

DOI:10.1016/j.tetlet.2006.03.164

upstream raw materials:

furan

p-toluidine

2,5-dihydro-1-(4-methylphenyl)-1H-pyrrole

cis,trans-2,5-dimethoxytetrahydrofuran

Downstream raw materials:

TCNE-1-p-Tolylpyrrol-Komplex

N-p-Tolyl-2-(trifluoromethyl)pyrrole

Chloranil-1-p-Tolylpyrrol-Komplex

1-(4-methylphenyl)-2-formyl-1H-pyrrole

Refernces

• 1、 Romagnoli, Romeo,Oliva, Paola,Salvador, Maria Kimatrai,Manfredini, Stefano,Padroni, Chiara,Brancale, Andrea,Ferla, Salvatore,Hamel, Ernest,Ronca, Roberto,Maccarinelli, Federica,Rruga, Fatlum,Mariotto, Elena,Viola, Giampietro,Bortolozzi, Roberta. "A facile synthesis of diaryl pyrroles led to the discovery of potent colchicine site antimitotic agents". . . Retrieved 2021/02/09.
• 2、 Balasubramaniam, Bhuvaneshwari,Dhara, Partha,Gupta, Raju K.,Kundu, Sabuj,Panja, Dibyajyoti,Sau, Anirban. "Utilization of caffeine carbon supported cobalt catalyst in the tandem synthesis of pyrroles from nitroarenes and alkenyl diols". . p. 244 - 254. Retrieved 2021/09/07.