1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole

Base Information

• Chemical Name: 1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole
• CAS No.: 922729-56-4
• Molecular Formula: C13H12N2O4S
• Molecular Weight: 292.315
• DSSTox Substance ID: DTXSID70390501

Synonyms:1-(4-methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole;922729-56-4;DTXSID70390501

Chemical Property of 1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 292.05177804
• Heavy Atom Count: 20
• Complexity: 470

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C=C[N+](=O)[O-]

Technology Process of 1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)pyrrole

There total 2 articles about 1-(4-Methylphenyl)sulfonyl-2-(2-nitroethenyl)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: 90.0%

nitromethane (75-52-5) + 1-(toluene-4-sulfonyl)-1H-pyrrole-2-carbaldehyde (102619-05-6) → 2-(trans-2-nitrovinyl)-N-p-tosylpyrrole (922729-56-4)

Guidance literature:

With methylamine hydrochloride; sodium acetate; In methanol; at 20 ℃; for 38h;

DOI:10.1016/j.tet.2006.10.027

Reference yield:

2-pyrrole aldehyde (1003-29-8,254729-95-8) → 2-(trans-2-nitrovinyl)-N-p-tosylpyrrole (922729-56-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / tetrabutylammonium hydrogen sulfate; NaOH / H₂O; CH₂Cl₂ / 5 h

2: 90 percent / sodium acetate; methylamine hydrochloride / methanol / 38 h / 20 °C

With sodium hydroxide; methylamine hydrochloride; sodium acetate; tetra(n-butyl)ammonium hydrogensulfate; In methanol; dichloromethane; water;

DOI:10.1016/j.tet.2006.10.027

Reference yield: 31.0%

2-(trans-2-nitrovinyl)-N-p-tosylpyrrole (922729-56-4) → 2-(2-nitroethyl)-N-p-tosylpyrrole (922729-58-6)

Guidance literature:

With sodium tetrahydroborate; In methanol; N,N-dimethyl-formamide; for 0.25h;

DOI:10.1016/j.tet.2006.10.027

upstream raw materials:

nitromethane

1-(toluene-4-sulfonyl)-1H-pyrrole-2-carbaldehyde

2-pyrrole aldehyde

Downstream raw materials:

2-(2-nitroethyl)-N-p-tosylpyrrole

3,3-dimethyl-2,3,4,5-tetrahydro-N¹¹-p-tosyldipyrrin

2,3,4,5-tetrahydro-3,3-dimethyl-N¹¹-p-tosyldipyrrin N¹⁰-oxide

2,3,4,5-tetrahydro-1,3,3-trimethyl-N¹¹-p-tosyldipyrrin N¹⁰-oxide

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