N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide

Base Information

• Chemical Name: N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide
• CAS No.: 148459-01-2
• Molecular Formula: C8H11 N3 O3 S
• Molecular Weight: 229.26
• DSSTox Substance ID: DTXSID60372614
• Mol file: 148459-01-2.mol

Synonyms:148459-01-2;Benzenecarboximidamide,N-hydroxy-4-[(methylsulfonyl)amino]-;N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide;N'-hydroxy-4-[(methylsulfonyl)amino]benzenecarboximidamide;SCHEMBL4947204;DTXSID60372614;N'-hydroxy-4-methanesulfonamidobenzene-1-carboximidamide

Chemical Property of N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide

Chemical Property:

• PSA: 113.16000
• LogP: 2.00670
• XLogP3: 0
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 229.05211239
• Heavy Atom Count: 15
• Complexity: 326

Purity/Quality:

N''-hydroxy-4-[(methylsulfonyl)amino]benzenecarboximidamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)NC1=CC=C(C=C1)C(=NO)N

Technology Process of N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide

There total 4 articles about N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide 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: 96.0%

→ 4-((methylsulfonyl)amino)benzenecarboxamide oxime (148459-01-2)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydrogencarbonate; In ethanol; water; at 60 ℃; for 16h;

Reference yield: 65.5%

4-((methylsulfonyl)amino)benzonitrile (36268-67-4) → 4-((methylsulfonyl)amino)benzenecarboxamide oxime (148459-01-2)

Guidance literature:

With hydroxylamine hydrochloride; sodium; In methanol; a) reflux, 2 h, b) 25 deg C, 16 h;

DOI:10.1021/jm00063a003

Reference yield:

4-Aminobenzonitrile (873-74-5) → 4-((methylsulfonyl)amino)benzenecarboxamide oxime (148459-01-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 76.5 percent / pyridine / CH₂Cl₂ / 1 h / Ambient temperature

2: 65.5 percent / NH₂OH*HCl, Na / methanol / a) reflux, 2 h, b) 25 deg C, 16 h

With pyridine; hydroxylamine hydrochloride; sodium; In methanol; dichloromethane;

DOI:10.1021/jm00063a003

upstream raw materials:

4-((methylsulfonyl)amino)benzonitrile

4-Aminobenzonitrile

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