1-(4-methyl-2-nitrophenyl)-1H-pyrrole

Base Information

• Chemical Name: 1-(4-methyl-2-nitrophenyl)-1H-pyrrole
• CAS No.: 59194-20-6
• Molecular Formula: C11H10N2O2
• Molecular Weight: 202.213
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40384412
• Wikidata: Q82176536
• Mol file: 59194-20-6.mol

Synonyms:1-(4-methyl-2-nitrophenyl)-1H-pyrrole;59194-20-6;1-(4-methyl-2-nitrophenyl)pyrrole;SCHEMBL9044798;DTXSID40384412;DFPKHCCZVFEALB-UHFFFAOYSA-N;BBL022289;MFCD04109604;STK895516;AKOS000285837;CCG-243559;SB62713;CS-0331679;FT-0680629;7Z-0812;A869250;J-503357

Chemical Property of 1-(4-methyl-2-nitrophenyl)-1H-pyrrole

Chemical Property:

• Vapor Pressure: 0.000133mmHg at 25°C
• Melting Point: 55-58°
• Refractive Index: 1.601
• Boiling Point: 344.2°C at 760 mmHg
• Flash Point: 162°C
• PSA: 50.75000
• Density: 1.2g/cm³
• LogP: 3.21710
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 202.074227566
• Heavy Atom Count: 15
• Complexity: 233

Purity/Quality:

97% ^*data from raw suppliers

1-(4-methyl-2-nitrophenyl)-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)[N+](=O)[O-]

Technology Process of 1-(4-methyl-2-nitrophenyl)-1H-pyrrole

There total 2 articles about 1-(4-methyl-2-nitrophenyl)-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: 83.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 4-methyl-2-nitroaniline (89-62-3) → 1H–1–(4–methyl–2–nitrophenyl)pyrrole (59194-20-6)

Guidance literature:

With acetic acid; for 0.833333h; Reflux;

DOI:10.1002/cmdc.202000446

Reference yield:

→ 1H–1–(4–methyl–2–nitrophenyl)pyrrole (59194-20-6)

Guidance literature:

Reference yield: 95.0%

1H–1–(4–methyl–2–nitrophenyl)pyrrole (59194-20-6) + benzylamine (100-46-9) → 7-methyl-4-phenylpyrrolo[1,2-a]quinoxaline

Guidance literature:

With water; pyrographite; at 140 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.cclet.2019.04.007

upstream raw materials:

cis,trans-2,5-dimethoxytetrahydrofuran

4-methyl-2-nitroaniline

Downstream raw materials:

2–(1H–pyrrol–1–yl)–5–methylaniline

N-ethyl-1-(4-methyl-2-nitrophenyl)-1H-pyrrole-2-carboxamide

2-Chloro-N-(5-methyl-2-pyrrol-1-yl-phenyl)-acetamide