3,5-Dimethylisoxazole-4-sulfonamide

Base Information

• Chemical Name: 3,5-Dimethylisoxazole-4-sulfonamide
• CAS No.: 175136-83-1
• Molecular Formula: C5H8 N2 O3 S
• Molecular Weight: 176.196
• Hs Code.: 2935009090
• European Community (EC) Number: 858-904-3
• DSSTox Substance ID: DTXSID40407059
• Wikidata: Q82212285
• Mol file: 175136-83-1.mol

Synonyms:3,5-dimethylisoxazole-4-sulfonamide;175136-83-1;3,5-dimethyl-1,2-oxazole-4-sulfonamide;dimethyl-1,2-oxazole-4-sulfonamide;3,5-dimethyl-4-isoxazolesulfonamide;Oprea1_552734;SCHEMBL51166;DTXSID40407059;GXRGFHCFXQFLBX-UHFFFAOYSA-N;HMS1719K04;MFCD00104577;3,5-dimethylisoxazol-4-ylsulfonamide;3,5-Dimethyl-isoxazole-4-sulfonamide;3,5-dimethylisoxazol-4-ylsulphonamide;AKOS000145696;CS-0233269;3,5-dimethyl-isoxazole-4-sulfonic acid amide;EN300-13220;3,5-dimethyl-isoxazole-4-sulphonic acid amide;3,5-dimethylisoxazole-4-sulfonamide, AldrichCPR;Z45415661;F2158-2259

Chemical Property of 3,5-Dimethylisoxazole-4-sulfonamide

Chemical Property:

• Boiling Point: 380.7±52.0 °C(Predicted)
• PKA: 9.41±0.60(Predicted)
• PSA: 94.57000
• Density: 1.387±0.06 g/cm3(Predicted)
• LogP: 1.71990
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 176.02556330
• Heavy Atom Count: 11
• Complexity: 233

Purity/Quality:

97% ^*data from raw suppliers

3,5-Dimethylisoxazole-4-sulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C)S(=O)(=O)N

Technology Process of 3,5-Dimethylisoxazole-4-sulfonamide

There total 2 articles about 3,5-Dimethylisoxazole-4-sulfonamide 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: 75.0%

→ 3,5-dimethyl-1,2-oxazole-4-sulfonamide (175136-83-1)

Guidance literature:

With ammonium hydroxide; In methanol; at 20 ℃; for 16h;

Reference yield: 67.0%

isoxazole-4-sulfonyl chloride (80466-79-1) → 3,5-dimethyl-1,2-oxazole-4-sulfonamide (175136-83-1)

Guidance literature:

With ammonia; In tetrahydrofuran; methanol; at 20 ℃; for 1h;

Reference yield: 82.0%

2-chloro-4-fluoro-5-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-2,3-dihydropyrimidine-1(6H)-yl)benzoyl chloride (120890-62-2) + 3,5-dimethyl-1,2-oxazole-4-sulfonamide (175136-83-1) → 2-chloro-N-(3,5-dimethyl-isoxazol-4-ylsulfonyl)-4-fluoro-5-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-2,3-dihydropyrimidin-1(6H)-yl)benzoylamine

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 4h;

upstream raw materials:

isoxazole-4-sulfonyl chloride

Downstream raw materials:

3-{2-[2-(2-chloro-4-fluorobenzyloxy)phenyl]-5-methyl-pyrrol-1-yl}-N-(3,5-dimethylisoxazole-4-sulfonyl)benzamide

3-{2-[2-(4-fluorobenzyloxy)phenyl]-5-methyl-pyrrol-1-yl}-N-(3,5-dimethylisoxazole-4-sulfonyl)benzamide

3-{2-[2-(2,4-difluorobenzyloxy)phenyl]-5-methyl-pyrrol-1-yl}-N-(3,5-dimethylisoxazole-4-sulfonyl)benzamide

3-{2-[2-(4-chlorobenzyloxy)phenyl]-5-methyl-pyrrol-1-yl}-N-(3,5-dimethylisoxazole-4-sulfonyl)benzamide