N-prop-2-ynyl-4-sulfamoyl-benzamide

Base Information

• Chemical Name: N-prop-2-ynyl-4-sulfamoyl-benzamide
• CAS No.: 912345-32-5
• Molecular Formula: C₁₀H₁₀N₂O₃S
• Molecular Weight: 238.267
• UNII: 66N56UQP3M
• ChEMBL ID: CHEMBL386542
• Pharos Ligand ID: JSLTFNSPJS5D
• Mol file: 912345-32-5.mol

Synonyms:N-prop-2-ynyl-4-sulfamoyl-benzamide;Benzamide, 4-(aminosulfonyl)-N-2-propyn-1-yl-;66N56UQP3M;N-propynyl amidebenzenesulphonide;Benzamide, 4-(aminosulfonyl)-N-2-propynyl-;N-prop-2-ynyl-4-sulfamoylbenzamide;912345-32-5;UNII-66N56UQP3M;N-(2-Propyn-1-yl)-4-sulfamoylbenzamide;CHEMBL386542;4-(Aminosulfonyl)-N-2-propyn-1-ylbenzamide;N-(prop-2-ynyl)-4-sulfamoylbenzamide;N-propynyl amide derivative 2;SCHEMBL1177446;BDBM12916;AKOS008956053;N-(prop-2-yn-1-yl)-4-sulfamoylbenzamide

Chemical Property of N-prop-2-ynyl-4-sulfamoyl-benzamide

Chemical Property:

• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 238.04121336
• Heavy Atom Count: 16
• Complexity: 394

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C#CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N

Technology Process of N-prop-2-ynyl-4-sulfamoyl-benzamide

There total 1 articles about N-prop-2-ynyl-4-sulfamoyl-benzamide 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: 93.0%

4-(aminosulfonyl)-benzoic acid (138-41-0) + Propargylamine (2450-71-7) → N-(prop-2-yn-1-yl)-4-sulfamoylbenzamide (912345-32-5)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 15h; Inert atmosphere;

DOI:10.1021/jacs.7b07339

Reference yield: 92.0%

N-(prop-2-yn-1-yl)-4-sulfamoylbenzamide (912345-32-5) + 2,3,4-tri-O-acetyl-1-azido-1-deoxy-β-D-glucopyranuronic acid methyl ester (67776-38-9,163776-36-1) → 4-({[4-(aminosulfonyl)benzoyl]amino}methyl)-1-(2',3',4'-tri-O-acetyl-β-D-glucuronic acid methyl ester)-1H-1,2,3-triazole

Guidance literature:

With copper(II) sulfate; sodium L-ascorbate; In tert-butyl alcohol; at 40 ℃;

DOI:10.1021/jm060967z

Reference yield: 91.0%

N-(prop-2-yn-1-yl)-4-sulfamoylbenzamide (912345-32-5) + 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranosyl azide (6205-69-2) → 4-({[4-(aminosulfonyl)benzoyl]amino}methyl)-1-(2'-acetamido-2'-deoxy-3',4',6'-tri-O-acetyl-β-D-glucopyranosyl)-1H-1,2,3-triazole (915694-62-1)

Guidance literature:

With copper(II) sulfate; sodium L-ascorbate; In tert-butyl alcohol; at 40 ℃;

DOI:10.1021/jm060967z

upstream raw materials:

4-(aminosulfonyl)-benzoic acid

Propargylamine

Downstream raw materials:

4-({[4-(aminosulfonyl)benzoyl]amino}methyl)-1-(hepta-O-acetyl-β-D-maltosyl)-1H-1,2,3-triazole

4-({[4-(aminosulfonyl)benzoyl]amino}methyl)-1-(2',3',4'-tri-o-acetyl-α-D-arabinopyranosyl)-1H-1,2,3-triazole

4-({[4-(aminosulfonyl)benzoyl]amino}methyl)-1-(2'-acetamido-2'-deoxy-3',4',6'-tri-O-acetyl-β-D-glucopyranosyl)-1H-1,2,3-triazole

4-({[4-(aminosulfonyl)benzoyl]amino}methyl)-1-(2',3',4',6'-tetra-O-acetyl-β-D-glucopyranosyl)-1H-1,2,3-triazole