Benzenesulfonamide, 4-methoxy-N-2-propynyl-

Base Information

• Chemical Name: Benzenesulfonamide, 4-methoxy-N-2-propynyl-
• CAS No.: 800384-35-4
• Molecular Formula: C10H11NO3S
• Molecular Weight: 225.268
• DSSTox Substance ID: DTXSID70429426
• Wikidata: Q82242458
• Mol file: 800384-35-4.mol

Synonyms:800384-35-4;Benzenesulfonamide, 4-methoxy-N-2-propynyl-;SCHEMBL3369176;DTXSID70429426;AKOS008959668;4-Methoxy-N-(prop-2-yn-1-yl)benzene-1-sulfonamide

Chemical Property of Benzenesulfonamide, 4-methoxy-N-2-propynyl-

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 225.04596439
• Heavy Atom Count: 15
• Complexity: 327

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)S(=O)(=O)NCC#C

Technology Process of Benzenesulfonamide, 4-methoxy-N-2-propynyl-

There total 3 articles about Benzenesulfonamide, 4-methoxy-N-2-propynyl- 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: 98.0%

4-methoxy-phenyl-sulphonyl chloride (98-68-0) + Propargylamine (2450-71-7) → 4-methoxy-N-(prop-2-yn-1-yl)benzenesulfonamide (800384-35-4)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1002/adsc.200800735

Reference yield: 84.0%

N-(t-butoxycarboyl)-N-prop-2-ynyl-4-methoxyphenylsulfonamide → 4-methoxy-N-(prop-2-yn-1-yl)benzenesulfonamide (800384-35-4)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1246/cl.140688

Reference yield:

N-(t-butoxycarboyl)-4-methoxyphenylsulfonamide (55125-01-4) → 4-methoxy-N-(prop-2-yn-1-yl)benzenesulfonamide (800384-35-4)

Guidance literature:

Multi-step reaction with 2 steps

1: diethylazodicarboxylate; triphenylphosphine / tetrahydrofuran / 0.5 h / 20 °C / Inert atmosphere

2: trifluoroacetic acid / dichloromethane / 2 h / 20 °C

With triphenylphosphine; trifluoroacetic acid; diethylazodicarboxylate; In tetrahydrofuran; dichloromethane;

DOI:10.1246/cl.140688

upstream raw materials:

4-methoxy-phenyl-sulphonyl chloride

Propargylamine

N-(t-butoxycarboyl)-4-methoxyphenylsulfonamide

Downstream raw materials:

N-(3,3-dimethylallyl)-4-methoxyl-N-(prop-2-ynyl)benzenesulfonamide