1-(3-Methylphenyl)-1h-pyrrole

Base Information

• Chemical Name: 1-(3-Methylphenyl)-1h-pyrrole
• CAS No.: 2437-43-6
• Molecular Formula: C11H11 N
• Molecular Weight: 157.215
• NSC Number: 116790
• DSSTox Substance ID: DTXSID40297598
• Nikkaji Number: J1.286.263F
• Wikidata: Q82038779
• Mol file: 2437-43-6.mol

Synonyms:1-(3-methylphenyl)-1h-pyrrole;2437-43-6;NSC 116790;NSC116790;SCHEMBL1966595;DTXSID40297598;AKOS000285859;NSC-116790

Chemical Property of 1-(3-Methylphenyl)-1h-pyrrole

Chemical Property:

• Vapor Pressure: 0.0182mmHg at 25°C
• Boiling Point: 261.9°C at 760 mmHg
• Flash Point: 112.2°C
• Density: 0.96g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 157.089149355
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3-Methylphenyl)-1h-pyrrole

There total 8 articles about 1-(3-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) + 1-amino-3-methylbenzene (108-44-1) → N-(3-methylphenyl)pyrrole (2437-43-6)

Guidance literature:

In water; at 150 ℃; for 0.5h; Microwave irradiation;

DOI:10.1016/j.tetlet.2009.06.079

Reference yield: 92.0%

pyrrole (109-97-7,30604-81-0) + 3-Iodotoluene (625-95-6) → N-(3-methylphenyl)pyrrole (2437-43-6)

Guidance literature:

With copper diacetate; potassium carbonate; In dimethyl sulfoxide; at 105 ℃; for 7h; Reagent/catalyst;

Reference yield: 86.0%

N,N-diallyl-3-methylaniline (63556-01-4) → N-(3-methylphenyl)pyrrole (2437-43-6)

Guidance literature:

With Grubbs catalyst first generation; iron(III) chloride hexahydrate; oxygen; In dichloromethane; at 40 ℃; for 24h;

DOI:10.1021/om400046r

upstream raw materials:

cis,trans-2,5-dimethoxytetrahydrofuran

1-amino-3-methylbenzene

pyrrole

3-Iodotoluene

Downstream raw materials:

3-pyrrol-1-ylphenylacetic acid