N-Hydroxy-4-methylbenzenesulfonamide

Base Information

• Chemical Name: N-Hydroxy-4-methylbenzenesulfonamide
• CAS No.: 1593-60-8
• Molecular Formula: C7H9NO3S
• Molecular Weight: 187.219
• Hs Code.: 2935009090
• European Community (EC) Number: 851-606-4
• DSSTox Substance ID: DTXSID10435263
• Nikkaji Number: J787.363H
• Wikidata: Q72481983
• Pharos Ligand ID: UG5WAJXB9H1T
• ChEMBL ID: CHEMBL121559
• Mol file: 1593-60-8.mol

Synonyms:N-HYDROXY-4-METHYLBENZENESULFONAMIDE;1593-60-8;Benzenesulfonamide, N-hydroxy-4-methyl-;N-hydroxy-4-methylbenzene-1-sulfonamide;N-hydroxy-4-toluenesulfonamide;tosylhydroxylamine;N-Tosylhydroxylamine;Hydroxysulfonamide 58;p-tolyl-N-hydroxysulfonamide;CHEMBL121559;SCHEMBL1832454;BDBM11377;DTXSID10435263;XMJJPCJUQLGGND-UHFFFAOYSA-N;n-hydroxy-4-methylphenylsulfonamide;MFCD11850835;AKOS015888649;CS-0068832;FT-0760726;EN300-182741

Chemical Property of N-Hydroxy-4-methylbenzenesulfonamide

Chemical Property:

• Melting Point: 126-128℃ (DEC.)
• Boiling Point: 355.6±35.0 °C(Predicted)
• PKA: 6.90±0.69(Predicted)
• PSA: 74.78000
• Density: 1.363
• LogP: 2.13420
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 187.03031432
• Heavy Atom Count: 12
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

N-Hydroxy-4-methylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of N-Hydroxy-4-methylbenzenesulfonamide

There total 7 articles about N-Hydroxy-4-methylbenzenesulfonamide 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: 87.5%

p-toluenesulfonyl chloride (98-59-9) → p-toluenesulfonylhydroxylamine (1593-60-8)

Guidance literature:

With hydroxylamine hydrochloride; magnesium oxide; In tetrahydrofuran; methanol; water; at 20 ℃;

Reference yield: 80.0%

C26H23NO3S → p-toluenesulfonylhydroxylamine (1593-60-8)

Guidance literature:

With boron trifluoride diethyl etherate; In methanol; dichloromethane; at 20 ℃; for 4h;

DOI:10.1021/jo701411d

Reference yield: 42.0%

toluene-4-sulfonamide (70-55-3) → p-toluenesulfonylhydroxylamine (1593-60-8)

Guidance literature:

With water; potassium carbonate; p-toluenesulfonyl chloride; In tetrahydrofuran; methanol; at 0 - 20 ℃; for 3h;

upstream raw materials:

p-toluenesulfonyl chloride

p-TolSO₂NO

p-toluene sulfinic acid

toluene-4-sulfonamide

Downstream raw materials:

3-methyl-2-(toluene-4-sulfonyl)-2H-isoxazol-5-one

N-(4-Nitro-benzolsulfonyloxy)-toluol-4-sulfonamid

O-(Tetrahydro-2H-pyran-2-yl)-N-tosylhydroxylamine

C₁₀H₁₇NO₃SSi

Refernces

• 1、 Zhang, Xiaoke,Pan, Yang,Liang, Peng,Ma, Xiaofeng,Jiao, Wei,Shao, Huawu. "An Effective Method for the Synthesis of 1,3-Dihydro-2H-indazoles via N-N Bond Formation". supporting information. p. 5552 - 5557. Retrieved 2019/11/22.
• 2、 Wang, Anqi,Venditto, Nicholas J.,Darcy, Julia W.,Emmert, Marion H.. "Nondirected, cu-catalyzed sp3 C-H aminations with hydroxylamine-based amination reagents: Catalytic and mechanistic studies". supporting information. p. 1259 - 1268. Retrieved 2017/05/29.