5-Nitro-2-(phenylsulfonyl)pyridine

Base Information

• Chemical Name: 5-Nitro-2-(phenylsulfonyl)pyridine
• CAS No.: 69770-61-2
• Molecular Formula: C₁₁H₈N₂O₄S
• Molecular Weight: 264.262
• DSSTox Substance ID: DTXSID00363122
• Wikidata: Q82146691
• ChEMBL ID: CHEMBL1520753
• Mol file: 69770-61-2.mol

Synonyms:5-nitro-2-(phenylsulfonyl)pyridine;69770-61-2;2-(benzenesulfonyl)-5-nitropyridine;PYRIDINE, 5-NITRO-2-(PHENYLSULFONYL)-;MLS001165555;SMR000550098;2-besyl-5-nitro-pyridine;CHEMBL1520753;BDBM64104;cid_1477595;DTXSID00363122;REGID_for_CID_1477595;MFCD02186479;AKOS005093410;4R-0606

Chemical Property of 5-Nitro-2-(phenylsulfonyl)pyridine

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 264.02047791
• Heavy Atom Count: 18
• Complexity: 392

Purity/Quality:

99% ^*data from raw suppliers

5-Nitro-2-(phenylsulfonyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=NC=C(C=C2)[N+](=O)[O-]

Technology Process of 5-Nitro-2-(phenylsulfonyl)pyridine

There total 6 articles about 5-Nitro-2-(phenylsulfonyl)pyridine 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: 45.0%

C10H8N3O2(1+)*BF4(1-) + sodium benzenesulfonate (873-55-2) → 5-nitro-2-benzenesulfonyl-pyridine (69770-61-2)

Guidance literature:

C₁₀H₈N₃O₂⁽¹⁺⁾*BF₄^(1-); With hydrogenchloride; In 1,4-dioxane; ethanol; for 0.166667h; Sealed tube;

sodium benzenesulfonate; In 1,4-dioxane; ethanol; at 80 ℃; for 15h; Sealed tube;

DOI:10.1002/anie.201806271

Reference yield:

5-nitro-2-phenylsulfanylpyridine (4262-10-6) → 5-nitro-2-benzenesulfonyl-pyridine (69770-61-2)

Guidance literature:

With potassium permanganate; water; acetic acid;

Reference yield:

thiophenol (108-98-5) → 5-nitro-2-benzenesulfonyl-pyridine (69770-61-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 135 - 150 °C

2: acetic acid; water; hydrogen peroxide

With water; dihydrogen peroxide; acetic acid;

DOI:10.1021/ja01869a062

upstream raw materials:

5-nitro-2-phenylsulfanylpyridine

2-chloro-5-nitropyridine

thiophenol

sodium benzenesulfonate

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