N-(2-methoxybenzyl)-2-nitrobenzenesulfonamide

Base Information

• Chemical Name: N-(2-methoxybenzyl)-2-nitrobenzenesulfonamide
• CAS No.: 349099-29-2
• Molecular Formula: C14H14N2O5S
• Molecular Weight: 322.342
• DSSTox Substance ID: DTXSID50355274
• Nikkaji Number: J2.427.916B
• Wikidata: Q82134063
• Mol file: 349099-29-2.mol

Synonyms:STK002992;N-(2-methoxybenzyl)-2-nitrobenzenesulfonamide;349099-29-2;Cambridge id 5329852;Oprea1_469113;DTXSID50355274;AKOS001287665;AB00081009-01;Z45543139

Chemical Property of N-(2-methoxybenzyl)-2-nitrobenzenesulfonamide

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 322.06234272
• Heavy Atom Count: 22
• Complexity: 471

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Technology Process of N-(2-methoxybenzyl)-2-nitrobenzenesulfonamide

There total 1 articles about N-(2-methoxybenzyl)-2-nitrobenzenesulfonamide 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:

2-methoxybenzylamine (6850-57-3) + 2-Nitrobenzenesulfonyl chloride (1694-92-4) → (2-methoxybenzyl)(2-nitrobenzenesulfonyl)amine (349099-29-2)

Guidance literature:

With TEA; at 0 ℃; for 1h;

DOI:10.1016/j.bmcl.2005.10.050

Reference yield: 80.0%

(2-methoxybenzyl)(2-nitrobenzenesulfonyl)amine (349099-29-2) + Methanesulfonic acid (2R,3S)-1-(4-methoxy-benzyl)-2-phenyl-piperidin-3-yl ester (929049-48-9) → (2R,3S)-3-[N-(2-methoxybenzyl)-N-(2-nitrobenzenesulfonyl)]amino-1-(4-methoxybenzyl)-2-phenylpiperidine (929049-49-0)

Guidance literature:

With potassium carbonate; In acetonitrile; at 30 ℃; for 24h;

DOI:10.1016/j.tetasy.2006.12.009

Reference yield: 63.0%

(2-methoxybenzyl)(2-nitrobenzenesulfonyl)amine (349099-29-2) + Methanesulfonic acid (2R,3S)-1-(4-methoxy-benzyl)-2-methyl-piperidin-3-yl ester (929049-54-7) → (2R,3R)-3-[N-(2-methoxybenzyl)-N-(2-nitrobenzenesulfonyl)]amino-1-(4-methoxybenzyl)-2-methylpiperidine + (2R,3S)-3-[N-(2-methoxybenzyl)-N-(2-nitrobenzenesulfonyl)]amino-1-(4-methoxybenzyl)-2-methylpiperidine

Guidance literature:

With potassium carbonate; In acetonitrile; at -25 ℃; for 48h;

DOI:10.1016/j.tetasy.2006.12.009

upstream raw materials:

2-methoxybenzylamine

2-Nitrobenzenesulfonyl chloride

Downstream raw materials:

2-amino-N-(2-methoxy-benzyl)-benzenesulfonamide

(2R,3S)-3-[N-(2-methoxybenzyl)-N-(2-nitrobenzenesulfonyl)]amino-1-(4-methoxybenzyl)-2-phenylpiperidine

(2R,3S)-3-[N-(2-aminobenzenesulfonyl)-N-(2-methoxybenzyl)]amino-2-phenylpiperidine

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