N-(2-butylbenzofuran-5-yl)methanesulfonamide

Base Information

• Chemical Name: N-(2-butylbenzofuran-5-yl)methanesulfonamide
• CAS No.: 437652-07-8
• Molecular Formula: C13H17NO3S
• Molecular Weight: 267.349
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID10432232
• Wikidata: Q72514352
• Mol file: 437652-07-8.mol

Synonyms:437652-07-8;N-(2-butylbenzofuran-5-yl)methanesulfonamide;2-Butyl-5-[methanesulfonamido]benzofuran;N-(2-BUTYL-1-BENZOFURAN-5-YL)METHANESULFONAMIDE;N-(2-Butyl-5-benzofuranyl)methanesulfonamide;SCHEMBL282809;DTXSID10432232;HACDESLXZXBASP-UHFFFAOYSA-N;AMY21659;CS-M1222;AKOS005145692;SB67370;2-butyl-5-methanesulfonamido-benzofuran;2-n-Butyl-5-methanesulfonamidobenzofuran;2-Butyl-5-(methan sulfonamido)benzofuran;2-n-butyl-5-methanesulfonamido-benzofuran;AC-25771;CS-13827;A6999;FT-0664141;J-508574

Chemical Property of N-(2-butylbenzofuran-5-yl)methanesulfonamide

Chemical Property:

• Melting Point: 104-106 °C
• Boiling Point: 399.861 °C at 760 mmHg
• PKA: 8.33±0.30(Predicted)
• Flash Point: 195.629 °C
• PSA: 67.69000
• Density: 1.257 g/cm³
• LogP: 4.30070
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 267.09291458
• Heavy Atom Count: 18
• Complexity: 363

Purity/Quality:

98% ^*data from raw suppliers

2-Butyl-5-[methanesulfonamido]benzofuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC1=CC2=C(O1)C=CC(=C2)NS(=O)(=O)C

Technology Process of N-(2-butylbenzofuran-5-yl)methanesulfonamide

There total 13 articles about N-(2-butylbenzofuran-5-yl)methanesulfonamide 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: 100.0%

2-n-butyl-5-bromo-benzofuran (497225-66-8) + methanesulfonamide (3144-09-0) → N-(2-butyl-2,3-dihydro-5-benzofuranyl)methanesulfonamide (437652-07-8)

Guidance literature:

With bis(dibenzylideneacetone)-palladium⁽⁰⁾; tert-butyl XPhos; In 1,4-dioxane; at 100 ℃; for 24h; Reagent/catalyst; Solvent; Inert atmosphere;

Reference yield:

5-amino 2-n-butyl benzofuran (141645-51-4) + methanesulfonyl chloride (124-63-0) → N-(2-butyl-2,3-dihydro-5-benzofuranyl)methanesulfonamide (437652-07-8)

Guidance literature:

With ammonia; In tetrahydrofuran; tert-butyl methyl ether; water; at 200 ℃;

Reference yield:

2-n-butyl-5-aminobenzofuran hydrochloride (526196-90-7) + methanesulfonyl chloride (124-63-0) → N-(2-butyl-2,3-dihydro-5-benzofuranyl)methanesulfonamide (437652-07-8)

Guidance literature:

With tetrabutyl-ammonium chloride; In tetrahydrofuran; at 60 ℃; for 4h; Reflux;

upstream raw materials:

5-amino 2-n-butyl benzofuran

methanesulfonyl chloride

2-(4-bromo-2-formylphenoxy)-hexanoic acid

5-bromosalicyclaldehyde

Downstream raw materials:

dronedarone hydrochloride

N-(2-butyl-3-(4-(3-chloropropoxy)benzoyl)benzofuran-5-yl)methanesulfonamide

C₂₃H₂₆BrNO₅S

dronedarone

Refernces

• 1、 -. "PROCESS FOR PREPARING SULFONAMIDOBENZOFURAN DERIVATIVES". . . Retrieved 2013/03/26.