Benzenesulfonamide, 4-[[amino(carbonylamino)oxy]

Base Information

Chemical Name:Benzenesulfonamide, 4-[[amino(carbonylamino)oxy]
CAS No.:135685-11-9
Molecular Formula:C₁₂H₁₉N₅O₆S*ClH
Molecular Weight:397.84
Hs Code.:
ChEMBL ID:CHEMBL107465
DSSTox Substance ID:DTXSID50876974
Nikkaji Number:J459.566A
Wikidata:Q82858727

Synonyms:CHEMBL107465;SCHEMBL10384432;DTXSID50876974;135685-11-9;Benzenesulfonamide, 4-[[amino(carbonylamino)oxy]

Suppliers and Price of Benzenesulfonamide, 4-[[amino(carbonylamino)oxy]

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

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Chemical Property of Benzenesulfonamide, 4-[[amino(carbonylamino)oxy]

Chemical Property:

XLogP3:0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:361.10560452
Heavy Atom Count:24
Complexity:531

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CNCCN(C)S(=O)(=O)C1=CC(=C(C=C1)CONC(=O)N)[N+](=O)[O-]

Technology Process of Benzenesulfonamide, 4-[[amino(carbonylamino)oxy]

There total 10 articles about Benzenesulfonamide, 4-[[amino(carbonylamino)oxy] 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: 83.0%

: 135685-10-8
N-<2--N-methylamino>ethyl>-N-methyl-3-nitro-4-<(ureidooxy)methyl>benzenesulfonamide

: 135685-11-9
N-methyl-N-<2-(methylamino)ethyl>-3-nitro-4-<(ureidooxy)methyl>benzenesulfonamide hydrochloride

Guidance literature:: With hydrogenchloride; In ethyl acetate; at 0 - 20 ℃; for 1.25h;
DOI:10.1021/jm00114a024

Reference yield:

: 2-(4-Amino-2-nitro-benzyloxy)-isoindole-1,3-dione

: 135685-11-9
N-methyl-N-<2-(methylamino)ethyl>-3-nitro-4-<(ureidooxy)methyl>benzenesulfonamide hydrochloride

Guidance literature:: Multi-step reaction with 5 steps

1: 1.) NaNO₂, conc. aq. HCl, AcOH, 2.) SO₂, aq. CuCl₂ / 1.) -5 deg C - deg C, 15 min, 2.) from 0 deg C to RT, 3 h

2: 81.9 percent / N,N-diisopropylethylamine / tetrahydrofuran / 3.5 h / 0 - 20 °C

3: 46 percent / hydrazine / ethanol / 3 h / 80 °C

4: 2.) aq. NH₄Cl / 1.) toluene, 80 deg C, 18 h, 2.) toluene, RT, 30 min

5: 83 percent / HCl (gas) / ethyl acetate / 1.25 h / 0 - 20 °C

With hydrogenchloride; sulfur dioxide; ammonium chloride; acetic acid; N-ethyl-N,N-diisopropylamine; copper dichloride; hydrazine; sodium nitrite; In tetrahydrofuran; ethanol; ethyl acetate;
DOI:10.1021/jm00114a024

Reference yield:

: 135685-05-1
N,N-bis<(tert-butyloxy)carbonyl>-4-methyl-3-nitroaniline

: 135685-11-9
N-methyl-N-<2-(methylamino)ethyl>-3-nitro-4-<(ureidooxy)methyl>benzenesulfonamide hydrochloride

Guidance literature:: Multi-step reaction with 8 steps

1: N-bromosuccinimide (NBS), dibenzoyl peroxide / CCl₄ / 20 h / Heating; Irradiation

2: Et₃N / acetonitrile / 6 h / Heating

3: CF₃CO₂H / CH₂Cl₂ / 0 - 6 °C

4: 1.) NaNO₂, conc. aq. HCl, AcOH, 2.) SO₂, aq. CuCl₂ / 1.) -5 deg C - deg C, 15 min, 2.) from 0 deg C to RT, 3 h

5: 81.9 percent / N,N-diisopropylethylamine / tetrahydrofuran / 3.5 h / 0 - 20 °C

6: 46 percent / hydrazine / ethanol / 3 h / 80 °C

7: 2.) aq. NH₄Cl / 1.) toluene, 80 deg C, 18 h, 2.) toluene, RT, 30 min

8: 83 percent / HCl (gas) / ethyl acetate / 1.25 h / 0 - 20 °C

With hydrogenchloride; N-Bromosuccinimide; sulfur dioxide; ammonium chloride; acetic acid; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; copper dichloride; hydrazine; sodium nitrite; dibenzoyl peroxide; In tetrahydrofuran; tetrachloromethane; ethanol; dichloromethane; ethyl acetate; acetonitrile;
DOI:10.1021/jm00114a024