N(4)-Acetylsulphasomidine

Base Information

• Chemical Name: N(4)-Acetylsulphasomidine
• CAS No.: 3163-31-3
• Molecular Formula: C14H16 N4 O3 S
• Molecular Weight: 320.372
• Hs Code.: 2935009090
• European Community (EC) Number: 221-617-3
• DSSTox Substance ID: DTXSID90185512
• Nikkaji Number: J86.555I
• Wikidata: Q83056546
• Mol file: 3163-31-3.mol

Synonyms:N(4)-acetylsulphasomidine

Chemical Property of N(4)-Acetylsulphasomidine

Chemical Property:

• Refractive Index: 1.6270 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 112.92000
• Density: 1.389g/cm³
• LogP: 3.65590
• Water Solubility.: 44mg/L(temperature not stated)
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 320.09431156
• Heavy Atom Count: 22
• Complexity: 483

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Technology Process of N(4)-Acetylsulphasomidine

There total 5 articles about N(4)-Acetylsulphasomidine 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:

Sulfasomidin (515-64-0) + acetic anhydride (108-24-7) → N4-acetyl-sulfisomidine (3163-31-3)

Guidance literature:

DOI:10.1021/ja01631a079

Reference yield:

4-acetylamino-N-(4-acetylamino-benzenesulfonyl)-N-(2,6-dimethyl-pyrimidin-4-yl)-benzenesulfonamide (112860-70-5) → N4-acetyl-sulfisomidine (3163-31-3)

Guidance literature:

With ammonium hydroxide;

Reference yield:

4-amino-2,6-dimethylpyrimidine (461-98-3) → N4-acetyl-sulfisomidine (3163-31-3)

Guidance literature:

Multi-step reaction with 2 steps

2: 2,6-dimethyl-pyrimidin-4-ylamine; pyridine

With pyridine; 4-amino-2,6-dimethylpyrimidine;

upstream raw materials:

4-chloro-2,6-dimethylpyrimidine

p-acetylaminobenzenesulfonamide

Sulfasomidin

acetic anhydride

Downstream raw materials:

Sulfasomidin

Refernces