N-[1-(Phenylsulfonyl)-1H-benzotriazol-4-yl]benzenesulfonamide

Base Information

Chemical Name:N-[1-(Phenylsulfonyl)-1H-benzotriazol-4-yl]benzenesulfonamide
CAS No.:137434-63-0
Molecular Formula:C₁₈H₁₄N₄O₄S₂
Molecular Weight:414.466
Hs Code.:
DSSTox Substance ID:DTXSID201186934

Synonyms:DTXSID201186934;N-[1-(Phenylsulfonyl)-1H-benzotriazol-4-yl]benzenesulfonamide;137434-63-0

Suppliers and Price of N-[1-(Phenylsulfonyl)-1H-benzotriazol-4-yl]benzenesulfonamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of N-[1-(Phenylsulfonyl)-1H-benzotriazol-4-yl]benzenesulfonamide

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:414.04564729
Heavy Atom Count:28
Complexity:735

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC=C2)N(N=N3)S(=O)(=O)C4=CC=CC=C4

Technology Process of N-[1-(Phenylsulfonyl)-1H-benzotriazol-4-yl]benzenesulfonamide

There total 3 articles about N-[1-(Phenylsulfonyl)-1H-benzotriazol-4-yl]benzenesulfonamide 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: 77.0%

: 18076-61-4
1H-1,2,3-benzotriazol-4-amine

: 98-09-9
benzenesulfonyl chloride

: 137434-63-0
4-<(benzenesulfonyl)amino>-1-(benzenesulfonyl)benzotriazole

Guidance literature:: With pyridine; at 20 ℃; for 1h;
DOI:10.1021/jo00027a036

Reference yield:

: 136-85-6
5⁽⁶⁾-methylbenzotriazole

: 137434-63-0
4-<(benzenesulfonyl)amino>-1-(benzenesulfonyl)benzotriazole

Guidance literature:: Multi-step reaction with 3 steps

1: 90 percent / conc. H₂SO₄, 70percent HNO₃

2: 67 percent / H₂ / 5percent Pd/C / aq. ethanol / 3 h / 20 °C / 3102.9 Torr

3: 77 percent / pyridine / 1 h / 20 °C

With pyridine; sulfuric acid; hydrogen; nitric acid; palladium on activated charcoal; In ethanol;
DOI:10.1021/jo00027a036

Reference yield:

: 31995-60-5
5-methyl-4-nitrobenzotriazole

: 137434-63-0
4-<(benzenesulfonyl)amino>-1-(benzenesulfonyl)benzotriazole

Guidance literature:: Multi-step reaction with 2 steps

1: 67 percent / H₂ / 5percent Pd/C / aq. ethanol / 3 h / 20 °C / 3102.9 Torr

2: 77 percent / pyridine / 1 h / 20 °C

With pyridine; hydrogen; palladium on activated charcoal; In ethanol;
DOI:10.1021/jo00027a036