2-[(2,4-Dinitrophenyl)thio]-1H-pyrrole

Base Information

• Chemical Name: 2-[(2,4-Dinitrophenyl)thio]-1H-pyrrole
• CAS No.: 18159-25-6
• Molecular Formula: C₁₀H₇N₃O₄S
• Molecular Weight: 265.249
• DSSTox Substance ID: DTXSID101281880
• Nikkaji Number: J2.514.767G
• Mol file: 18159-25-6.mol

Synonyms:DTXSID101281880;18159-25-6;2-[(2,4-Dinitrophenyl)thio]-1H-pyrrole

Chemical Property of 2-[(2,4-Dinitrophenyl)thio]-1H-pyrrole

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 265.01572689
• Heavy Atom Count: 18
• Complexity: 330

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CNC(=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 2-[(2,4-Dinitrophenyl)thio]-1H-pyrrole

There total 2 articles about 2-[(2,4-Dinitrophenyl)thio]-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: 70.0%

pyrrole (109-97-7,30604-81-0) + 2,4-dinitrobenzenesulfenyl chloride (528-76-7) → 2-(2,4-dinitrobenzenesulfenyl)pyrrole (18159-25-6)

Guidance literature:

In dichloromethane; at 20 ℃; for 16h;

DOI:10.1021/jo050077b

Reference yield:

→ 2-(2,4-dinitrobenzenesulfenyl)pyrrole (18159-25-6)

Guidance literature:

Pyrrol/Dioxan, 2,4-Dinitro-benzosulfenylchlorid/Et3N;

DOI:10.1139/v67-359

Reference yield: 67.0%

2-(2,4-dinitrobenzenesulfenyl)pyrrole (18159-25-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-(2,4-dinitrobenzenesulfenyl)pyrrole-3-carboxaldehyde + 5-(2,4-dinitrobenzenesulfenyl)pyrrole-2-carboxaldehyde (18159-26-7)

Guidance literature:

2-(2,4-dinitrobenzenesulfenyl)pyrrole; N,N-dimethyl-formamide; With trichlorophosphate; In 1,2-dichloro-ethane; for 1.5h; Heating;

With sodium acetate; In 1,2-dichloro-ethane; for 1h; Further stages.; Heating;

DOI:10.1021/jo070493r

upstream raw materials:

pyrrole

2,4-dinitrobenzenesulfenyl chloride

Downstream raw materials:

2-(2,4-dinitrobenzenesulfinyl)pyrrole

5-(2,4-dinitrobenzenesulfenyl)pyrrole-2-carboxaldehyde

2-(2,4-dinitrobenzenesulfonyl)pyrrole

2,4-dinitro-1-phenylsulfanyl-benzene