Sulfatroxazole

Base Information

• Chemical Name: Sulfatroxazole
• CAS No.: 23256-23-7
• Molecular Formula: C11H13 N3 O3 S
• Molecular Weight: 267.309
• Hs Code.: 2935009090
• European Community (EC) Number: 245-530-5
• UNII: ZXC0PT8FFS
• DSSTox Substance ID: DTXSID20177829
• Nikkaji Number: J16.765G
• Wikidata: Q27295939
• NCI Thesaurus Code: C152459
• ChEMBL ID: CHEMBL26630
• Mol file: 23256-23-7.mol

Synonyms:N(1)-(4,5-dimethyl-3-isoxazolyl)sulfanilamide;sulfatroxazole

Chemical Property of Sulfatroxazole

Chemical Property:

• Vapor Pressure: 1.47E-09mmHg at 25°C
• Melting Point: 193-195.5 °C
• Boiling Point: 484.9°Cat760mmHg
• PKA: 5.93±0.50(Predicted)
• Flash Point: 247.1°C
• PSA: 106.60000
• Density: 1.411g/cm³
• LogP: 3.40940
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 267.06776246
• Heavy Atom Count: 18
• Complexity: 374

Purity/Quality:

98%Min ^*data from raw suppliers

Sulfatroxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(ON=C1NS(=O)(=O)C2=CC=C(C=C2)N)C
• Uses: Sulfatroxazole is a component present in various veterinary drugs. Possible antibacterial activity due to presence of sulfonamide moiety in the structure.

Technology Process of Sulfatroxazole

There total 7 articles about Sulfatroxazole 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:

5-amino-3,4-dimethylisoxazol (19947-75-2) + p-acetylaminobenzenesulfonyl chloride (121-60-8) → Isosulfafurazole (23256-23-7)

Guidance literature:

5-amino-3,4-dimethylisoxazol; p-acetylaminobenzenesulfonyl chloride; With pyridine; In tetrahydrofuran; at 20 ℃; for 6h;

With sodium hydroxide; for 2h; Reflux;

DOI:10.1016/j.ejmech.2017.04.074

Reference yield:

3-(N4-Acetylsulfanilamino)-4,5-dimethylisoxazol (91960-06-4) → Isosulfafurazole (23256-23-7)

Guidance literature:

With sodium hydroxide; In methanol; Heating;

DOI:10.1016/S0960-894X(00)00366-8

Reference yield:

4,5-dimethyl-1,2-oxazol-3-amine (13999-39-8) → Isosulfafurazole (23256-23-7)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 20 °C

2: aq. NaOH / methanol / Heating

With pyridine; sodium hydroxide; In methanol; 1: sulfonylation / 2: Deacetylation;

DOI:10.1016/S0960-894X(00)00366-8

upstream raw materials:

3-(N⁴-Acetylsulfanilamino)-4,5-dimethylisoxazol

4,5-dimethyl-1,2-oxazol-3-amine

p-acetylaminobenzenesulfonyl chloride

DIV₀₁₃₈₉

Refernces

• 1、 Wang, Lei,Li, Li,Zhou, Zi-Han,Jiang, Zheng-Yu,You, Qi-Dong,Xu, Xiao-Li. "Structure-based virtual screening and optimization of modulators targeting Hsp90-Cdc37 interaction". . p. 63 - 73. Retrieved 2017/05/10.