(1,1'-Biphenyl)-2-sulfonamide, N-(3,4-dimethyl-5-isoxazolyl)-4'-(2-oxazolyl)-

Base Information

• Chemical Name: (1,1'-Biphenyl)-2-sulfonamide, N-(3,4-dimethyl-5-isoxazolyl)-4'-(2-oxazolyl)-
• CAS No.: 176960-47-7
• Molecular Formula: C20H17N3O4S
• Molecular Weight: 395.439
• UNII: 7ON53PV45J
• Nikkaji Number: J1.382.564E
• Wikidata: Q27268648
• Pharos Ligand ID: WZ3R3SDUFNSG
• ChEMBL ID: CHEMBL24461
• Mol file: 176960-47-7.mol

Synonyms:BMS-193884;176960-47-7;UNII-7ON53PV45J;7ON53PV45J;(1,1'-Biphenyl)-2-sulfonamide, N-(3,4-dimethyl-5-isoxazolyl)-4'-(2-oxazolyl)-;CHEMBL24461;N-(3,4-dimethylisoxazol-5-yl)-4'-(oxazol-2-yl)-[1,1'-biphenyl]-2-sulfonamide;D0B5PU;SCHEMBL4204130;LJGUZUROJOJEMI-UHFFFAOYSA-N;BDBM50091105;AKOS040750839;N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide;HY-19263;LS-44539;CS-0015003;L001532;Q27268648;4''-Oxazol-2-yl-biphenyl-2-sulfonicacid(3,4-dimethyl-isoxazol-5-yl)-amide;4''''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide;4''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide

Chemical Property of (1,1'-Biphenyl)-2-sulfonamide, N-(3,4-dimethyl-5-isoxazolyl)-4'-(2-oxazolyl)-

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 395.09397721
• Heavy Atom Count: 28
• Complexity: 617

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC=C2C3=CC=C(C=C3)C4=NC=CO4

Technology Process of (1,1'-Biphenyl)-2-sulfonamide, N-(3,4-dimethyl-5-isoxazolyl)-4'-(2-oxazolyl)-

There total 5 articles about (1,1'-Biphenyl)-2-sulfonamide, N-(3,4-dimethyl-5-isoxazolyl)-4'-(2-oxazolyl)- 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: 56.0%

→ N-(3,4-dimethyl-5-isoxazolyl)-4'-(2-oxazolyl)[1,1'-biphenyl]-2-sulfonamide (176960-47-7)

Guidance literature:

Reference yield: 52.0%

N-(3,4-dimethyl-5-isoxazolyl)-N-[(methoxyethoxy)methyl]-4'-(2-oxazolyl)[1,1'-biphenyl]-2-sulfonamide (176961-14-1) → N-(3,4-dimethyl-5-isoxazolyl)-4'-(2-oxazolyl)[1,1'-biphenyl]-2-sulfonamide (176960-47-7)

Guidance literature:

With hydrogenchloride; In ethanol; for 1h; Heating;

DOI:10.1021/jm000105c

Reference yield:

4-chlorobenzoyl chloride (586-75-4) → N-(3,4-dimethyl-5-isoxazolyl)-4'-(2-oxazolyl)[1,1'-biphenyl]-2-sulfonamide (176960-47-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 73 percent / K₂CO₃ / tetrahydrothiophene 1,1-dioxide / 15 h / 140 °C

2: 70 percent / (Ph₃P)4Pd; aq. Na₂CO₃ / ethanol; toluene / 2 h / Heating

3: 52 percent / 6N aq. HCl / aq. ethanol / 1 h / Heating

With hydrogenchloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; potassium carbonate; In sulfolane; ethanol; toluene; 1: Condensation / 2: Arylation / 3: Hydrolysis;

DOI:10.1021/jm000105c

upstream raw materials:

N-(3,4-dimethyl-5-isoxazolyl)-N-[(methoxyethoxy)methyl]-4'-(2-oxazolyl)[1,1'-biphenyl]-2-sulfonamide

p-bromobenzamide

4-chlorobenzoyl chloride

2-(4-bromophenyl)oxazole

Downstream raw materials:

N-(3,4-Dimethyl-5-isoxazolyl)-N-[(2-methoxyethoxy)methyl]-4'-(5-oxazolyl)[1,1'-biphenyl]-2-sulfonamide

N-(3,4-Dimethyl-5-isoxazolyl)-N-[(2-methoxyethoxy)methyl]-4'-(4-oxazolyl)[1,1'-biphenyl]-2-sulfonamide

N-(3,4-Dimethyl-5-isoxazolyl)-N-[(2-methoxyethoxy)methyl]-4'-(2-oxazolylmethyl)[1,1'-biphenyl]-2-sulfonamide

N-(3,4-Dimethyl-5-isoxazolyl)-N-[(2-methoxyethoxy)methyl]-4'-(1H-pyrazol-1-yl)[1,1'-biphenyl]-2-sulfonamide