1-(4-Bromophenyl)-2,5-Dimethyl-1H-Pyrrole

Base Information

• Chemical Name: 1-(4-Bromophenyl)-2,5-Dimethyl-1H-Pyrrole
• CAS No.: 5044-24-6
• Molecular Formula: C12H12BrN
• Molecular Weight: 250.138
• Hs Code.: 2933990090
• European Community (EC) Number: 882-053-7
• DSSTox Substance ID: DTXSID30372323
• Nikkaji Number: J450.221C
• Wikidata: Q72449367
• Mol file: 5044-24-6.mol

Synonyms:1-(4-Bromophenyl)-2,5-Dimethyl-1H-Pyrrole;5044-24-6;1-(4-Bromophenyl)-2,5-dimethylpyrrole;Akos Bb-3545;Maybridge1_007386;SCHEMBL1773257;HMS562H16;DTXSID30372323;OURHFEVMTCZQLA-UHFFFAOYSA-N;AMY25691;BBL025803;MFCD00277042;STL381762;AKOS000285808;SB62130;B2636;CS-0192532;FT-0651398;EN300-04838;D88944;8W-0354;A871554;J-503248;Z55892013

Chemical Property of 1-(4-Bromophenyl)-2,5-Dimethyl-1H-Pyrrole

Chemical Property:

• Appearance/Colour: powder
• Vapor Pressure: 0.000604mmHg at 25°C
• Melting Point: 75-77 ºC
• Refractive Index: 1.586
• Boiling Point: 320.2 ºC at 760 mmHg
• PKA: -3.33±0.70(Predicted)
• Flash Point: 147.5 ºC
• PSA: 4.93000
• Density: 1.31 g/cm³
• LogP: 3.85660
• Storage Temp.: 2-8°C
• Solubility.: soluble in Methanol
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 249.01531
• Heavy Atom Count: 14
• Complexity: 177

Purity/Quality:

98% ^*data from raw suppliers

1-(4-Bromophenyl)-2,5-dimethylpyrrole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(N1C2=CC=C(C=C2)Br)C

Technology Process of 1-(4-Bromophenyl)-2,5-Dimethyl-1H-Pyrrole

There total 8 articles about 1-(4-Bromophenyl)-2,5-Dimethyl-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: 98.0%

2,5-hexanedione (110-13-4) + 4-bromo-aniline (106-40-1) → 1-(4-Bromo-phenyl)-2,5-dimethyl-1H-pyrrole (5044-24-6)

Guidance literature:

With oxalic acid; In ethanol; at 60 ℃; for 0.5h; Green chemistry;

DOI:10.1007/s11164-020-04260-2

Reference yield: 97.0%

2,5-hexanedione (110-13-4) + para-nitrophenyl bromide (586-78-7) → 1-(4-Bromo-phenyl)-2,5-dimethyl-1H-pyrrole (5044-24-6)

Guidance literature:

In toluene; at 80 ℃; for 8h; Inert atmosphere;

DOI:10.1016/j.tet.2013.05.113

Reference yield: 96.6%

→ 1-(4-Bromo-phenyl)-2,5-dimethyl-1H-pyrrole (5044-24-6)

Guidance literature:

With Hf/SBA-15⁽²⁰⁾; at 150 ℃; for 6h; Inert atmosphere;

upstream raw materials:

2,5-hexanedione

4-bromo-aniline

para-nitrophenyl bromide

hydrogen

Downstream raw materials:

C₂₁H₂₁BrN₂O₃

1-(4-bromophenyl)-2, 5-dimethyl-1H-pyrrole-3-carbaldehyde

diethylammonium [N,N-bis(2,6-diisopropylphenyl)-4-(2,5-dimethylpyrrole-1-yl)benzamidinatotetrachlorotitanate]

2,5-dimethyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-pyrrole

Refernces

• 1、 Azhdari, Asieh,Azizi, Najmedin,Sanaeishoar, Haleh,Tahanpesar, Elham. "Amidosulfonic acid supported on graphitic carbon nitride: novel and straightforward catalyst for Paal–Knorr pyrrole reaction under mild conditions". . p. 625 - 634. Retrieved 2021/05/12.
• 2、 Rostami, Hedieh,Shiri, Lotfi. "Fe3O4@SiO2-PTMS-Guanidine-SA nanoparticles as an effective and reusable catalyst for the synthesis of N-substituted pyrroles". . p. 1329 - 1335. Retrieved 2020/01/28.