N-Hexyl-2-methoxy-5-(2-oxopropyl)benzenesulfonamide

Base Information

• Chemical Name: N-Hexyl-2-methoxy-5-(2-oxopropyl)benzenesulfonamide
• CAS No.: 144818-73-5
• Molecular Formula: C₁₆H₂₅NO₄S
• Molecular Weight: 327.445
• DSSTox Substance ID: DTXSID701223290
• Mol file: 144818-73-5.mol

Synonyms:N-Hexyl-2-methoxy-5-(2-oxopropyl)benzenesulfonamide;DTXSID701223290;144818-73-5

Chemical Property of N-Hexyl-2-methoxy-5-(2-oxopropyl)benzenesulfonamide

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 327.15042945
• Heavy Atom Count: 22
• Complexity: 430

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCNS(=O)(=O)C1=C(C=CC(=C1)CC(=O)C)OC

Technology Process of N-Hexyl-2-methoxy-5-(2-oxopropyl)benzenesulfonamide

There total 1 articles about N-Hexyl-2-methoxy-5-(2-oxopropyl)benzenesulfonamide 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:

4-methoxybenzyl methyl ketone (122-84-9) → N-Hexyl-2-methoxy-5-(2-oxo-propyl)-benzenesulfonamide (144818-73-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 11.4 g / ClSO₃H / 2 h / Ambient temperature

2: tetrahydrofuran / 2 h / Ambient temperature

With chlorosulfonic acid; In tetrahydrofuran;

DOI:10.1248/cpb.40.1443

Reference yield:

N-Hexyl-2-methoxy-5-(2-oxo-propyl)-benzenesulfonamide (144818-73-5) → 5-{2-[2-(5-Fluoro-2-methoxy-phenoxy)-ethylamino]-propyl}-N-hexyl-2-methoxy-benzenesulfonamide (145015-17-4)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol / 1 h / Heating

2: NaBH₄ / methanol / 3 h / Ambient temperature

With sodium tetrahydroborate; In methanol;

DOI:10.1248/cpb.40.1443

Reference yield:

2-(5-fluoro-2-methoxy-phenoxy)ethylamine (120352-00-3) + N-Hexyl-2-methoxy-5-(2-oxo-propyl)-benzenesulfonamide (144818-73-5) → 5-{2-[(E)-2-(5-Fluoro-2-methoxy-phenoxy)-ethylimino]-propyl}-N-hexyl-2-methoxy-benzenesulfonamide

Guidance literature:

In methanol; for 1h; Heating;

DOI:10.1248/cpb.40.1443

upstream raw materials:

4-methoxybenzyl methyl ketone

Downstream raw materials:

5-{2-[2-(5-Fluoro-2-methoxy-phenoxy)-ethylamino]-propyl}-N-hexyl-2-methoxy-benzenesulfonamide