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

Base Information

• Chemical Name: 1-(2-bromo-4-methylphenyl)-1H-pyrrole
• CAS No.: 142044-85-7
• Molecular Formula: C11H10BrN
• Molecular Weight: 236.111
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00405839
• Nikkaji Number: J2.463.750F
• Wikidata: Q82210558
• Mol file: 142044-85-7.mol

Synonyms:1-(2-bromo-4-methylphenyl)-1H-pyrrole;142044-85-7;1-(2-bromo-4-methylphenyl)pyrrole;SCHEMBL9043922;DTXSID00405839;GVOGUJBMHXFQFN-UHFFFAOYSA-N;BBL022306;MFCD02665225;STK895533;AKOS000202148;SB62445;BS-21462;CS-0207446;FT-0739754

Chemical Property of 1-(2-bromo-4-methylphenyl)-1H-pyrrole

Chemical Property:

• Boiling Point: 307.3±35.0 °C(Predicted)
• PKA: -5.90±0.70(Predicted)
• PSA: 4.93000
• Density: 1.34±0.1 g/cm3(Predicted)
• LogP: 3.54820
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 234.99966
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

98%min ^*data from raw suppliers

1-(2-bromo-4-methylphenyl)-1H-pyrrole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2-bromo-4-methylphenyl)-1H-pyrrole

There total 1 articles about 1-(2-bromo-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: 98.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 2-bromo-p-toluidine (583-68-6) → 1-(2-bromo-4-methyl-phenyl)-1H-pyrrole (142044-85-7)

Guidance literature:

With acetic acid; In water; 1,2-dichloro-ethane; at 80 ℃;

DOI:10.1039/c5ob01383f

Reference yield: 86.0%

1-(2-bromo-4-methyl-phenyl)-1H-pyrrole (142044-85-7) + 2-(4-methylbenzylidene)malononitrile (2826-25-7) → 2-{(4-methylphenyl)[5-methyl-2-(1H-pyrrol-1-yl)phenyl]methyl}propanedinitrile

Guidance literature:

1-(2-bromo-4-methyl-phenyl)-1H-pyrrole; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.0833333h;

2-(4-methylbenzylidene)malononitrile; In tetrahydrofuran; hexane; at -78 ℃; for 0.25h;

DOI:10.3987/COM-18-14009

Reference yield: 78.0%

1-(2-bromo-4-methyl-phenyl)-1H-pyrrole (142044-85-7) + Benzylidenemalononitrile (2700-22-3) → 2-{[5-methyl-2-(1H-pyrrol-1-yl)phenyl](phenyl)methyl}propanedinitrile

Guidance literature:

1-(2-bromo-4-methyl-phenyl)-1H-pyrrole; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.0833333h;

Benzylidenemalononitrile; In tetrahydrofuran; hexane; at -78 ℃; for 0.25h;

DOI:10.3987/COM-18-14009

upstream raw materials:

cis,trans-2,5-dimethoxytetrahydrofuran

2-bromo-p-toluidine

Downstream raw materials:

1-(2-bromo-4-methyl-phenyl)-1H-pyrrole-2-carbaldehyde

1-(2-bromo-4-methylphenyl)pyrrole-2-carbonitrile