1-Benzofuran-2-Sulfonamide

Base Information

• Chemical Name: 1-Benzofuran-2-Sulfonamide
• CAS No.: 124043-72-7
• Molecular Formula: C8H7 N O3 S
• Molecular Weight: 197.21
• DSSTox Substance ID: DTXSID70444336
• Nikkaji Number: J273.542C
• Wikidata: Q27460079
• Pharos Ligand ID: RQG66KH77CSX
• ChEMBL ID: CHEMBL165346
• Mol file: 124043-72-7.mol

Synonyms:124043-72-7;1-Benzofuran-2-Sulfonamide;2-BENZOFURANSULFONAMIDE;Benzofuran-2-sulfonamide;Benzofuran-2-sulfonic acid amide;2-Benzofuransulfonamide(9CI);CHEMBL165346;sulfonamidobenzofuran;2benzofuransulfonamide;2-benzo[b]furansulfonamide;SCHEMBL1156380;DTXSID70444336;3s71;PBECZJTWMSIKFE-UHFFFAOYSA-N;BDBM50406336;MFCD27942489;AKOS027325473;AS-6431;EN300-279329;Q27460079;Z1378432729;EVD

Chemical Property of 1-Benzofuran-2-Sulfonamide

Chemical Property:

• PSA: 81.68000
• LogP: 2.86130
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 197.01466426
• Heavy Atom Count: 13
• Complexity: 282

Purity/Quality:

98%min ^*data from raw suppliers

Benzofuran-2-sulfonic acid amide 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(O2)S(=O)(=O)N
• Recent ClinicalTrials: Intraventricular Fibrinolysis for Aneurysmal Subarachnoid Hemorrhage.

Technology Process of 1-Benzofuran-2-Sulfonamide

There total 4 articles about 1-Benzofuran-2-Sulfonamide 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: 56.0%

1-benzofurane (271-89-6) → 2-benzofuransulfonamide (124043-72-7)

Guidance literature:

1-benzofurane; With n-butyllithium; In tetrahydrofuran; hexane; at 0 - 20 ℃; for 1.08h; Inert atmosphere;

With N-sulfinyl-O-(tert-butyl)hydroxylamine; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 16h; Inert atmosphere;

DOI:10.1021/acs.orglett.0c03505

Reference yield: 43.0%

ammonia (7664-41-7) → 2-benzofuransulfonamide (124043-72-7)

Guidance literature:

1-benzofurane; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 0.333333h;

sulfuryl dichloride; In tetrahydrofuran; hexane; at 0 ℃; for 1h;

ammonia; In water; acetone;

Reference yield:

benzofuran-2-sulfonyl chloride (17070-58-5) → 2-benzofuransulfonamide (124043-72-7)

Guidance literature:

With ammonium hydroxide; In acetone; at 0 ℃;

DOI:10.1016/j.bmcl.2004.11.041

upstream raw materials:

1-benzofurane

benzofuran-2-sulfonyl chloride

ammonia

Downstream raw materials:

N-[[(4-bromophenyl)amino]carbonyl]-2-benzofuransulfonamide

Refernces

• 1、 -. "COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY". Page/Page column 262-263. . Retrieved 2020/06/10.
• 2、 Mader, Mary M.,Shih, Chuan,Considine, Eileen,De Dios, Alfonso,Grossman, Cora Sue,Hipskind, Philip A.,Lin, Ho-Shen,Lobb, Karen L.,Lopez, Beatriz,Lopez, Jose E.,Cabrejas, Luisa M. Martin,Richett, Michael E.,White, Wesley T.,Cheung, Yiu-Yin,Huang, Zhongping,Reilly, John E.,Dinn, Sean R.. "Acyl sulfonamide anti-proliferatives. Part 2: Activity of heterocyclic sulfonamide derivatives". . p. 617 - 620. Retrieved 2007/10/03.