N-Hydroxy-2,4,6-trimethylbenzenesulfonamide

Base Information

• Chemical Name: N-Hydroxy-2,4,6-trimethylbenzenesulfonamide
• CAS No.: 58042-39-0
• Molecular Formula: C9H13NO3S
• Molecular Weight: 215.273
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID00451735
• Nikkaji Number: J1.431.040A
• Wikidata: Q82271919
• Pharos Ligand ID: THMUCW7Y68G4
• ChEMBL ID: CHEMBL123064
• Mol file: 58042-39-0.mol

Synonyms:N-Hydroxy-2,4,6-trimethylbenzenesulfonamide;58042-39-0;N-hydroxy-2,4,6-trimethyl-benzenesulfonamide;Benzenesulfonamide, N-hydroxy-2,4,6-trimethyl-;N-hydroxy-2,4,6-trimethylbenzene-1-sulfonamide;MFCD16309113;Hydroxysulfonamide 67;o-mesitylenesulfonyl hydroxylamine;mesitylenesulfonylhydroxylamine;mesitylenesulfonylhydroxyamine;N-Mesitylsulfonylhydroxylamine;SCHEMBL123883;mesitylene sulfonylhydroxylamine;CHEMBL123064;BDBM11386;DTXSID00451735;RRPKGUUYTHFUPN-UHFFFAOYSA-N;(0-mesitylenesulfonyl)hydroxylamine;AMY20603;AKOS015888273;DS-10180;SY009683;2,4,6-Trimethyl-benzenesulfonylhydroxylamine;CS-0130371;FT-0713484;A823096;A869538

Chemical Property of N-Hydroxy-2,4,6-trimethylbenzenesulfonamide

Chemical Property:

• Boiling Point: 381.0±52.0 °C(Predicted)
• PKA: 6.37±0.69(Predicted)
• PSA: 74.78000
• Density: 1.267±0.06 g/cm3(Predicted)
• LogP: 2.75100
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 215.06161445
• Heavy Atom Count: 14
• Complexity: 271

Purity/Quality:

98%min ^*data from raw suppliers

N-Hydroxy-2,4,6-trimethylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)NO)C

Technology Process of N-Hydroxy-2,4,6-trimethylbenzenesulfonamide

There total 1 articles about N-Hydroxy-2,4,6-trimethylbenzenesulfonamide 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: 74.0%

2-mesitylenesulphonyl chloride (773-64-8) → N-hydroxy-2,4,6-trimethylbenzensulfonamide (58042-39-0)

Guidance literature:

With dmap; hydroxylamine hydrochloride; In pyridine; at 20 ℃; for 0.0833333h; Cooling with ice;

DOI:10.1016/j.bmcl.2013.02.062

Reference yield: 94.0%

γ-carboline (244-69-9) + N-hydroxy-2,4,6-trimethylbenzensulfonamide (58042-39-0) → 2-amino-γ-carbolinium mesitylenesulfonate

Guidance literature:

In dichloromethane;

Reference yield: 88.0%

2,2’-(methylenedisulfanediyl)dipyridine (77037-68-4) + N-hydroxy-2,4,6-trimethylbenzensulfonamide (58042-39-0) → C11H14N4S2(2+)*2C9H11O3S(1-)

Guidance literature:

In dichloromethane; at 0 ℃; for 0.5h;

upstream raw materials:

2-mesitylenesulphonyl chloride

Downstream raw materials:

N-amino-2-(1-butynyl)pyridinium mesitylenesulfonate

1-amino-2-(3-methoxy-1-propynyl)pyridinium 2,4,6-trimethyl-1-benzenesulfonate

1-Amino-5-bromouracil

3-(mesitylthio)-1H-indole

Refernces