N-(4-((((Methylamino)oxoacetyl)amino)sulfonyl)phenyl)-N'-(phenylmethyl)ethanediamide

Base Information

• Chemical Name: N-(4-((((Methylamino)oxoacetyl)amino)sulfonyl)phenyl)-N'-(phenylmethyl)ethanediamide
• CAS No.: 81717-46-6
• Molecular Formula: C₁₈H₁₈N₄O₆S
• Molecular Weight: 418.43
• DSSTox Substance ID: DTXSID101002149
• Wikidata: Q82996213
• Mol file: 81717-46-6.mol

Synonyms:BRN 5169856;81717-46-6;N-(4-((((Methylamino)oxoacetyl)amino)sulfonyl)phenyl)-N'-(phenylmethyl)ethanediamide;Ethanediamide, N-(4-((((methylamino)oxoacetyl)amino)sulfonyl)phenyl)-N'-(phenylmethyl)-;DTXSID101002149;LS-65319;2-(Benzylamino)-N-(4-{[(methylamino)(oxo)acetyl]sulfamoyl}phenyl)-2-oxoethanimidic acid

Chemical Property of N-(4-((((Methylamino)oxoacetyl)amino)sulfonyl)phenyl)-N'-(phenylmethyl)ethanediamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.431g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 418.09470548
• Heavy Atom Count: 29
• Complexity: 719

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: CNC(=O)C(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=CC=C2

Technology Process of N-(4-((((Methylamino)oxoacetyl)amino)sulfonyl)phenyl)-N'-(phenylmethyl)ethanediamide

There total 2 articles about N-(4-((((Methylamino)oxoacetyl)amino)sulfonyl)phenyl)-N'-(phenylmethyl)ethanediamide 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: 74.6%

N-[4-(Methylaminooxalyl-sulfamoyl)-phenyl]-oxalamic acid ethyl ester (81717-17-1) + benzylamine (100-46-9) → N-Benzyl-N'-[4-(methylaminooxalyl-sulfamoyl)-phenyl]-oxalamide (81717-46-6)

Guidance literature:

In ethanol; Ambient temperature;

DOI:10.1007/BF00761607

Reference yield:

4-Amino-N-benzolsulfonyl-oxamidsaeure-N'-methylamid (14222-73-2) → N-Benzyl-N'-[4-(methylaminooxalyl-sulfamoyl)-phenyl]-oxalamide (81717-46-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / Et₃N / acetic acid / Ambient temperature

2: 74.6 percent / ethanol / Ambient temperature

With triethylamine; In ethanol; acetic acid;

DOI:10.1007/BF00761607

upstream raw materials:

N-[4-(Methylaminooxalyl-sulfamoyl)-phenyl]-oxalamic acid ethyl ester

benzylamine

4-Amino-N-benzolsulfonyl-oxamidsaeure-N'-methylamid