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N-(4-methylphenyl)benzenesulfinamide is an organic compound with the chemical formula C13H13NOS. It is a derivative of benzenesulfinamide, featuring a 4-methylphenyl group attached to the nitrogen atom. N-(4-methylphenyl)benzenesulfinamide is known for its potential applications in the synthesis of various pharmaceuticals and agrochemicals, particularly as a precursor in the production of sulfonamide drugs. Its structure provides a balance of lipophilic and hydrophilic properties, which can influence its solubility and interaction with biological targets. The compound is also of interest in chemical research due to its reactivity and the possibility of further functionalization.

5469-22-7

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5469-22-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5469-22-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,6 and 9 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 5469-22:
(6*5)+(5*4)+(4*6)+(3*9)+(2*2)+(1*2)=107
107 % 10 = 7
So 5469-22-7 is a valid CAS Registry Number.

5469-22-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Benzenesulfino-p-toluidide

1.2 Other means of identification

Product number -
Other names N-(p-methylphenyl)benzenesulfinamide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
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More Details:5469-22-7 SDS

5469-22-7Relevant academic research and scientific papers

Iron/copper co-catalyzed highly selective arylation of sulfinamides with aryl iodides

Qin, Shuanglin,Luo, Yunhao,Sun, Yue,Tian, Le,Jiang, Shende,yan, Jun,Yang, Guang

supporting information, (2019/09/30)

In the present study, an inexpensive but efficient Iron(III) and Copper(II) co-catalyst without ligands catalyzed arylation of sulfinamides with aryl iodide was primarily reported. In brief, in the presence of Fe(NO3)3·9H2O, CuO and K3PO4, the highly selective C–N cross coupling of several sulfinamides and aryl iodides was achieved in high chemical yield, while the aryl chlorides and bromides could not yield coupling products. It is noteworthy that through the arylation of chiral tert-butanesulfinamide with aryl iodides, N-aryl tert-butanesulfinamides are provided without racemization, even in gram-scale. The possible mechanism was that This oxidative addition process between copper catalyst and aryl-iodides might be significantly accelerated by active Fe(III) species. Moreover, using this synthetic method, a facile and efficient access was developed for the derivatives of N-phenyl sulfinamides, which might help to develop new drug molecules and material chemicals.

A study of the reactivity of S(VI)-F containing warheads with nucleophilic amino-acid side chains under physiological conditions

Mukherjee,Debreczeni,Breed,Tentarelli,Aquila,Dowling,Whitty,Grimster

supporting information, p. 9685 - 9695 (2017/11/30)

Sulfonyl fluorides (SFs) have recently emerged as a promising warhead for the targeted covalent modification of proteins. Despite numerous examples of the successful deployment of SFs as covalent probe compounds, a detailed exploration of the factors influencing the stability and reactivity of SFs has not yet appeared. In this work we present an extensive study on the influence of steric and electronic factors on the reactivity and stability of the SF and related SVI-F groups. While SFs react rapidly with N-acetylcysteine, the resulting adducts were found to be unstable, rendering SFs inappropriate for the durable covalent inhibition of cysteine residues. In contrast, SFs afforded stable adducts with both N-acetyltyrosine and N-acetyllysine; furthermore, we show that the reactivity of arylsulfonyl fluorides towards these nucleophilic amino acids can be predictably modulated by adjusting the electronic properties of the warhead. These trends were largely conserved when the covalent reaction occurred within a protein binding pocket. We have also obtained a crystal structure depicting covalent modification of the catalytic lysine of a tyrosine kinase (FGFR1) by the ATP analog 5′-O-3-((fluorosulfonyl)benzoyl)adenosine (m-FSBA). Highly reactive warheads were demonstrated to be unstable with respect to hydrolysis in buffered aqueous solutions, indicating that warhead reactivity must be carefully tuned to provide optimal rates of protein modification. Our results demonstrate that the reactivity of SFs complements that of more commonly studied acrylamides, and we hope that this work spurs the rational design of novel SF-containing covalent probe compounds and inhibitors, particularly in cases where a suitably positioned cysteine residue is not present.

SULFENAMIDES AND SULFINAMIDES V. CONJUGATIVE AFFINITY AND pKa VALUES OF ARYL SULFINAMIDES

Clarke, Victor,Cole, Edward R.

, p. 243 - 248 (2007/10/02)

pKa values and NMR properties of aryl sulfinamides are discussed with respect to conjugative affinity in the sulfinamido group. - Key words: Sulfinamides; pKa values; conjugative affinity, NMR, spectrophotometry.

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