N(1)-Acetylsulfamethoxazole

Base Information

• Chemical Name: N(1)-Acetylsulfamethoxazole
• CAS No.: 18607-98-2
• Molecular Formula: C12H13 N3 O4 S
• Molecular Weight: 295.319
• European Community (EC) Number: 242-446-0
• UNII: EL4J65DX4B
• DSSTox Substance ID: DTXSID70171852
• Nikkaji Number: J38.393G
• Wikidata: Q83042005
• Mol file: 18607-98-2.mol

Synonyms:N(1)-acetylsulfamethoxazole;N(1)-acetylsulphamethoxazole

Chemical Property of N(1)-Acetylsulfamethoxazole

Chemical Property:

• Vapor Pressure: 1.96E-11mmHg at 25°C
• Boiling Point: 532.9°Cat760mmHg
• Flash Point: 276.1°C
• PSA: 114.88000
• Density: 1.438g/cm³
• LogP: 2.96900
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 295.06267708
• Heavy Atom Count: 20
• Complexity: 454

Purity/Quality:

98%Min ^*data from raw suppliers

N1-Acetylsulfamethoxazol ≥98%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NO1)N(C(=O)C)S(=O)(=O)C2=CC=C(C=C2)N
• Uses: N1-Acetylsulfamethoxazole is a plasma sulphapyridine or sulphamethoxazole acetyl metabolite.

Technology Process of N(1)-Acetylsulfamethoxazole

There total 6 articles about N(1)-Acetylsulfamethoxazole 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:

N-(5-methyl-isoxazol-3-yl)-N-(4-nitro-benzenesulfonyl)-acetamide (91397-74-9) → N1-acetylsulfamethoxazole (18607-98-2)

Guidance literature:

With hydrogen; platinum; In ethanol; Ambient temperature;

Reference yield:

N,N'-bis-(5-methyl-isoxazol-3-yl)-N,N'-(4,4'-diazenediyl-bis-benzenesulfonyl)-bis-acetamide (95956-33-5) → N1-acetylsulfamethoxazole (18607-98-2)

Guidance literature:

With hydrogen; platinum; In N,N-dimethyl-formamide; Ambient temperature;

Reference yield:

N,N'-bis-(5-methyl-isoxazol-3-yl)-4,4'-diazenediyl-bis-benzenesulfonamide (97254-40-5) → N1-acetylsulfamethoxazole (18607-98-2)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / 3 h / Heating

2: H₂ / Pt / dimethylformamide / Ambient temperature

With hydrogen; platinum; In acetic acid; N,N-dimethyl-formamide;

upstream raw materials:

N-(5-methyl-isoxazol-3-yl)-N-(4-nitro-benzenesulfonyl)-acetamide

N,N'-bis-(5-methyl-isoxazol-3-yl)-N,N'-(4,4'-diazenediyl-bis-benzenesulfonyl)-bis-acetamide

N,N'-bis-(5-methyl-isoxazol-3-yl)-4,4'-diazenediyl-bis-benzenesulfonamide

4,4'-diazenediyl-bis-benzenesulfonyl chloride

Downstream raw materials:

5-methylisoxazol-3-ylamine

5-methyl-3-nitrosoisoxazole

N-acetylsulfanilic acid

nitroso derivative of sulfamethoxazole