4-[(2,6-Dibromo-4-pyridinyl)sulfonyl]aniline

Base Information

• Chemical Name: 4-[(2,6-Dibromo-4-pyridinyl)sulfonyl]aniline
• CAS No.: 231286-73-0
• Molecular Formula: C₁₁H₈Br₂N₂O₂S
• Molecular Weight: 392.071
• DSSTox Substance ID: DTXSID30451945
• Wikidata: Q82272256
• Pharos Ligand ID: HDUVVKTUZ7YS
• ChEMBL ID: CHEMBL415464
• Mol file: 231286-73-0.mol

Synonyms:CHEMBL415464;231286-73-0;4-[(2,6-dibromo-4-pyridinyl)sulfonyl]aniline;4-(2,6-dibromopyridin-4-yl)sulfonylaniline;4-(2,6-dibromopyridine-4-sulphonyl)-phenylamine;SCHEMBL7138609;DTXSID30451945;VVFLAMYJXXXEAN-UHFFFAOYSA-N;BDBM50001522;4-(2,6-dibrompyridine-4-sulphonyl)-phenylamine;4-(2,6-Dibromo-pyridine-4-sulfonyl)-phenylamine;4-[2,6-bis(bromanyl)pyridin-4-yl]sulfonylaniline;A816576

Chemical Property of 4-[(2,6-Dibromo-4-pyridinyl)sulfonyl]aniline

Chemical Property:

• Melting Point: 196-198 °C (decomp)
• Boiling Point: 571.0±50.0 °C(Predicted)
• Density: 1.906±0.06 g/cm3(Predicted)
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 391.86527
• Heavy Atom Count: 18
• Complexity: 367

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)S(=O)(=O)C2=CC(=NC(=C2)Br)Br

Technology Process of 4-[(2,6-Dibromo-4-pyridinyl)sulfonyl]aniline

There total 7 articles about 4-[(2,6-Dibromo-4-pyridinyl)sulfonyl]aniline 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: 80.0%

2,6-dibromo-4-(4-nitrobenzenesulfonyl)-pyridine (231287-49-3) → 4-(2,6-dibromopyridine-4-sulphonyl)-phenylamine (231286-73-0)

Guidance literature:

With iron; ammonium chloride; In 1,4-dioxane; methanol; water; for 1.5h; Heating;

DOI:10.1021/jm021085c

Reference yield:

2,6-dibromo-4-nitropyridine (175422-04-5) → 4-(2,6-dibromopyridine-4-sulphonyl)-phenylamine (231286-73-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 81 percent / dimethylformamide / 3 h / 20 °C

2: 87 percent / meta-chloroperbenzoic acid / CH₂Cl₂ / 2 h / 20 °C

3: 80 percent / Fe; NH₄Cl / methanol; dioxane; H₂O / 1.5 h / Heating

With iron; ammonium chloride; 3-chloro-benzenecarboperoxoic acid; In 1,4-dioxane; methanol; dichloromethane; water; N,N-dimethyl-formamide;

DOI:10.1021/jm021085c

Reference yield:

ammonium chloride + 2,6-dibromo-4-(4-nitrobenzenesulfonyl)-pyridine (231287-49-3) → 4-(2,6-dibromopyridine-4-sulphonyl)-phenylamine (231286-73-0)

Guidance literature:

With iron; In 1,4-dioxane; methanol; dichloromethane; water;

upstream raw materials:

2,6-dibromo-4-(4-nitrobenzenesulfonyl)-pyridine

2,6-Dibromopyridine

2,6-dibromopyridin N-oxide

2,6-dibromo-4-nitro-pyridine 1-oxide

Refernces

• 1、 -. "BENZOSULFONE DERIVATIVES". . . Retrieved 2008/06/13.