N(4)-Acetylsulfadoxine

Base Information

• Chemical Name: N(4)-Acetylsulfadoxine
• CAS No.: 5018-54-2
• Molecular Formula: C₁₄H₁₆N₄O₅S
• Molecular Weight: 352.371
• Hs Code.: 2935009090
• European Community (EC) Number: 610-509-5
• DSSTox Substance ID: DTXSID20198231
• Nikkaji Number: J785.494C
• Wikidata: Q83071009
• Metabolomics Workbench ID: 71631
• Mol file: 5018-54-2.mol

Synonyms:N(4)-acetylsulfadoxine;N4-acetylsulphadoxine

Chemical Property of N(4)-Acetylsulfadoxine

Chemical Property:

• PSA: 131.38000
• LogP: 3.05630
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 352.08414080
• Heavy Atom Count: 24
• Complexity: 516

Purity/Quality:

99%min ^*data from raw suppliers

N4-AcetylSulfadoxine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OC)OC
• Uses: A metabolite of Sulfadoxine (S699070) in plasma.

Technology Process of N(4)-Acetylsulfadoxine

There total 3 articles about N(4)-Acetylsulfadoxine 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:

acetic anhydride (108-24-7) + sufadoxine (2447-57-6) → 4-(4-acetamidobenzenesulfonylamino)-5,6-dimethoxypyrimidine (5018-54-2)

Guidance literature:

for 8h; Reflux;

Reference yield:

acetic acid (64-19-7,77671-22-8) + sufadoxine (2447-57-6) → 4-(4-acetamidobenzenesulfonylamino)-5,6-dimethoxypyrimidine (5018-54-2)

Guidance literature:

for 8h; Reflux;

Reference yield:

→ 4-(4-acetamidobenzenesulfonylamino)-5,6-dimethoxypyrimidine (5018-54-2)

Guidance literature:

4-Amino-5,6-dimethoxy-pyrimidin, 4-Acetamino-benzolsulfochlorid, Py., 3-5grad;

DOI:10.1007/BF01185886

upstream raw materials:

acetic anhydride

sufadoxine

acetic acid

Refernces

• 1、 Nielsen. "The metabolism of four sulphonamides in cows". . p. 1039 - 1045. Retrieved 2007/10/04.