N(4)-Acetylsulfamethazine

Base Information

• Chemical Name: N(4)-Acetylsulfamethazine
• CAS No.: 100-90-3
• Molecular Formula: C14H16N4O3S
• Molecular Weight: 320.372
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID50142848
• Nikkaji Number: J285.125C
• Wikidata: Q27156841
• Mol file: 100-90-3.mol

Synonyms:N(4)-acetylsulfamethazine;N4-acetylsulfamethazine;NA-SMT cpd

Chemical Property of N(4)-Acetylsulfamethazine

Chemical Property:

• Melting Point: 249-251 °C
• Refractive Index: 1.627
• PSA: 109.43000
• Density: 1.389 g/cm³
• LogP: 3.07940
• Storage Temp.: Refrigerator
• Water Solubility.: 929.1mg/L(37 oC)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 320.09431156
• Heavy Atom Count: 22
• Complexity: 473

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-AcetylSulfamethazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C
• Uses: The main metabolite of Sulfamethazine

Technology Process of N(4)-Acetylsulfamethazine

There total 11 articles about N(4)-Acetylsulfamethazine 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:

sulfadimesine (57-68-1) → N-[4-(4,6-Dimethyl-pyrimidin-2-ylsulfamoyl)-phenyl]-acetamide (100-90-3)

Guidance literature:

DOI:10.1021/ja01631a079 DOI:10.1039/jr9450000689

Reference yield:

2-Amino-4,6-dimethylpyrimidine (767-15-7,184433-59-8) + p-acetylaminobenzenesulfonyl chloride (121-60-8) → N-[4-(4,6-Dimethyl-pyrimidin-2-ylsulfamoyl)-phenyl]-acetamide (100-90-3)

Guidance literature:

DOI:10.1021/ja01856a046 DOI:10.1021/ja01853a045

Reference yield:

2-chloro-4,6-dimethylpyrimidine (4472-44-0) + p-acetylaminobenzenesulfonamide (121-61-9) → N-[4-(4,6-Dimethyl-pyrimidin-2-ylsulfamoyl)-phenyl]-acetamide (100-90-3)

Guidance literature:

With sodium carbonate;

upstream raw materials:

acetamide

(4,6-dimethylpyrimid-2′-yl)-trimethylammonium chloride

4-acetylamino-benzenesulfonamide; monosodium salt

2-chloro-4,6-dimethylpyrimidine

Downstream raw materials:

sulfadimesine

Refernces