2,5-Dimethyl-1-(3-nitrophenyl)pyrrole

Base Information

• Chemical Name: 2,5-Dimethyl-1-(3-nitrophenyl)pyrrole
• CAS No.: 32570-23-3
• Molecular Formula: C12H12N2O2
• Molecular Weight: 216.239
• Hs Code.: 2933990090
• European Community (EC) Number: 668-705-1
• DSSTox Substance ID: DTXSID30384300
• Nikkaji Number: J3.062.167K
• Wikidata: Q82176330
• Mol file: 32570-23-3.mol

Synonyms:32570-23-3;2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrole;2,5-dimethyl-1-(3-nitrophenyl)pyrrole;1-(3-Nitrophenyl)-2,5-dimethylpyrrole;Maybridge1_001965;Oprea1_249484;SCHEMBL17172464;HMS547B07;DTXSID30384300;CCG-48622;AKOS000285587;SB63054;N-(3'-nitrophenyl)-2,5-dimethylpyrrole;FT-0677493;1-(3-Nitrophenyl)-2,5-dimethyl-1H-pyrrole;SR-01000638148-1

Chemical Property of 2,5-Dimethyl-1-(3-nitrophenyl)pyrrole

Chemical Property:

• Vapor Pressure: 7.87E-05mmHg at 25°C
• Refractive Index: 1.592
• Boiling Point: 352.3 °C at 760 mmHg
• Flash Point: 166.9 °C
• PSA: 50.75000
• Density: 1.18 g/cm³
• LogP: 3.52550
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 216.089877630
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

98%min ^*data from raw suppliers

2,5-DIMETHYL-1-(3-NITROPHENYL)PYRROLE Aldrich ^*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(=CC=C2)[N+](=O)[O-])C

Technology Process of 2,5-Dimethyl-1-(3-nitrophenyl)pyrrole

There total 2 articles about 2,5-Dimethyl-1-(3-nitrophenyl)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: 100.0%

2,5-hexanedione (110-13-4) + 3-nitro-aniline (99-09-2) → N-(3′-nitrophenyl)-2,5-dimethylpyrrole (32570-23-3)

Guidance literature:

3-nitro-aniline; With toluene-4-sulfonic acid; In toluene; for 0.0833333h; Dean-Stark;

2,5-hexanedione; for 1.25h; Inert atmosphere; Reflux; Dean-Stark;

DOI:10.1016/j.ejmech.2016.04.022

Reference yield:

→ N-(3′-nitrophenyl)-2,5-dimethylpyrrole (32570-23-3)

Guidance literature:

Acetylaceton, m-Nitranilin;

Reference yield: 92.0%

N-(3′-nitrophenyl)-2,5-dimethylpyrrole (32570-23-3) → 3-(2,5-dimethyl-1H-pyrrol-1-yl)aniline (247225-33-8)

Guidance literature:

With iron; acetic acid; In ethanol; water; for 0.3h; Reflux;

DOI:10.1016/j.ejmech.2016.04.022

upstream raw materials:

2,5-hexanedione

3-nitro-aniline

Downstream raw materials:

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

3-(2,5-dimethyl-1H-pyrrol-1-yl)aniline

Refernces

• 1、 Mohsenzadeh, Farshid,Darabi, Hossein Reza,Alivand, Mahsa,Aghapoor, Kioumars,Balavar, Yadollah. "Naturally occurring organic acids for organocatalytic synthesis of pyrroles via Paal–Knorr reaction". . p. 5255 - 5262. Retrieved 2020/09/09.
• 2、 Aghapoor, Kioumars,Mohsenzadeh, Farshid,Darabi, Hossein Reza,Rastgar, Saeed. "Microwave-induced calcium(II) chloride-catalyzed Paal–Knorr pyrrole synthesis: a safe, expeditious, and sustainable protocol". . p. 4063 - 4072. Retrieved 2018/06/19.