616-83-1

Usage

Uses

Used in Pharmaceutical and Agrochemical Synthesis:
4-Methyl-3-nitrobenzene-1-sulfonyl chloride is used as a reagent in the synthesis of various pharmaceuticals and agrochemicals, contributing to the development of new drugs and pesticides.
Used in Dye and Pigment Preparation:
In the dye and pigment industry, 4-Methyl-3-nitrobenzene-1-sulfonyl chloride is utilized in the preparation of dyes and pigments, enhancing the color properties and stability of these products.
Used in Organic Synthesis:
4-Methyl-3-nitrobenzene-1-sulfonyl chloride is employed in organic synthesis reactions to introduce the sulfonyl chloride functional group, which is crucial for the formation of various organic compounds.
Safety Precautions:
Due to its high reactivity, 4-Methyl-3-nitrobenzene-1-sulfonyl chloride should be handled with caution to avoid irritation and burns upon contact with skin or eyes. It is also important to handle 4-Methyl-3-nitrobenzene-1-sulfonyl chloride in a well-ventilated area to prevent the release of toxic fumes.

InChI:InChI=1/C7H6ClNO4S/c1-5-2-3-6(14(8,12)13)4-7(5)9(10)11/h2-4H,1H3

Upstream product

• 88-72-2 1-methyl-2-nitrobenzene 
• 98-59-9 p-toluenesulfonyl chloride 
• 5329-14-6 aminosulfonic acid 
• 119-32-4 4-Methyl-3-nitroanilin 

Downstream Products

• 719262-57-4 3-amino-4-methyl-thiophenol 
• 134187-81-8 2-nitro-toluene-4-sulfonic acid allylamide 
• 16939-31-4 3-Nitro-p-toluolsulfon-N-(3.4-xylyl)-amid 
• 16939-33-6 3-Nitro-p-toluolsulfon-N-(3-chlor-p-tolyl)-amid 
• 16939-34-7 3-Nitro-p-toluolsulfon-N-(3-nitro-p-tolyl)-amid 
• 96-57-1 2-nitro-4-<(N,N-dimethylamino)sulfonyl>toluene 
• 108227-52-7 2-nitro-4-<(N-methylamino)sulfonyl>toluene 
• 228552-26-9 4-benzyl-1-(4-methyl-3-nitro-benzenesulfonyl)-piperidine 
• 97-06-3 4-methyl-3-nitro-benzenesulfonic acid 
• 463314-90-1 2-(4'-methyl-3'-nitrobenzenesulfonyl)-L-glutamic acid 

Relevant academic research and scientific papers

A method for preparing of mesotrione

The invention provides a preparation method of mesotrione. The preparation method comprises is capable of preparing the target product from raw materials such as ortho-nitrotoluene, chlorosulfonic acid, sulfoxide chloride, sodium sulfite, chloroactic acid, 1,3-cyclohexanedione in the presence of a catalyst and acid-base. The preparation method is based on common chemical raw materials, the reaction flow of each step is implemented under conventional operation conditions, the amount of three wastes is low, the total yield is above 61%, the purity of the product is high, the purity of the coarse product of the mesotrione is greater than 98%, and the coarse product of the mesotrione can be further purified; as a result, the preparation method of mesotrione is applicable to large-scale industrial production.

SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS

The present invention relates to novel sulfone compounds as 5-HT6 receptor ligands of the formula (I), and their derivatives, prodrugs, tautomers, stereoisomers, polymorphs, solvates, hydrates, metabolites, N-oxides, pharmaceutically acceptable

SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS

The present invention relates to novel sulfone compounds as 5-HT6 receptor ligands of the formula (I), and their derivatives, prodrugs, tautomers, stereoisomers, polymorphs, solvates, hydrates, metabolites, N-oxides, pharmaceutically acceptable

Syntheses, biological evaluation and QSAR study on antitumor activity of 1,5-N,N′-disubstituted-2-(substituted benzenesulphonyl) glutamamides

We have reported [unpublished data] the synthesis and QSAR of 5-substituted-2-(substituted benzenesulphonyl) glutamines which have shown the importance of steric factor on the aliphatic chain. N-Phthalyl isoglutamine, having the substitution at position 1 of the glutamic acid moiety, is the metabolite of recently approved thalidomide for different types of tumors by US FDA. Based on these, 36 new 1,5-N,N′-disubstituted-2-(substituted benzenesulphonyl) glutamamides were synthesized, as tools for further elucidation of the structural requirements for antitumor activity. All the synthesized compounds were tested for antitumor activity against Ehrlich Ascites Carcinoma (EAC) in Swiss albino mice using tumor weight as inhibitory parameter. Quantitative structure-activity relationship (QSAR) studies of these analogues revealed that the electron donating groups on the phenyl ring are found to be mandatory for the activity which was also proved by the negative coefficient of indicator parameter I3, for NO2 group on the phenyl ring. Molecular volume (MV) and steric factor at R5 position also plays a role in ligand-receptor interactions.

Synthesis, screening and quantitative structure-activity relationship (QSAR) studies of some glutamine analogues for possible anticancer activity

We described the syntheses, biological activities and QSAR studies of 36 new 5-n-substituted-2-(substituted benzenesulphonyl) glutamines 6-41 with different substitutions. These compounds were designed as structural analogues of most reactive amino acid, 'glutamine' (GLN), especially in the tumor cells. They present the new basic lateral chains at R5 position as well as different substitutions at 2′, 3′, 4′, and 5′ positions on the benzene ring. The synthesized compounds have been tested for antitumor activity against Ehrlich ascites carcinoma (EAC) in Swiss albino mice using percentage inhibition of tumor weight as inhibitory parameter. In order to elucidate the structural requirements for antitumor activity, quantitative structure-activity relationship (QSAR) studies have been performed using extra thermodynamic model of Hansch. QSAR equations showed that the electronic parameter (σ) on the aromatic ring system, steric parameter (Es) and to some extent Sterimol length of the substituent (L) on the aliphatic side chain correlate significantly with the antitumor activity. Resonance factor occupies the major electronic contribution on the aromatic ring system to the activity.

Design and synthesis of potent and selective 5,6-fused heterocyclic thrombin inhibitors

Thrombin, a serine protease, plays a central role in the initiation of thrombotic events. We report design, synthesis, and antithrombotic efficacy of XU817 (7), a nonpeptide 5-(amidino) indole thrombin inhibitor. Utilizing the co-crystal structure of XU817 bound in the active site of thrombin we were able to synthesize analogs with enhanced thrombin affinity.

Process for the preparation of aromatic sulfonyl chlorides

A process for the preparation of aromatic sulfonyl chlorides of the formula I STR1 in which R1, R2 and R3 are identical or different and are hydrogen, fluorine, chlorine, bromine or iodine atoms, alkyl(C1 -C4), acetamido, nitro or carboxyl groups, or R1 and R2 together form an aromatic or heteroaromatic ring having 5 or 6 ring members, which can be substituted by fluorine, chlorine, bromine or iodine atoms, alkyl(C1 -C4), acetamido, nitro or carboxyl groups, by reaction of aromatic compounds of the formula II STR2 in which R1, R2 and R3 have the abovementioned meanings, with chlorosulfonic acid in excess or with chlorosulfonic acid or oleum and thionyl chloride, by reacting in the presence of sulfamic acid as a catalyst.

Ureylene phenylene anionic naphthalenesulfonic acids

Novel ureylenebis[substituted-phenylenecarbonyl-(and sulfonyl)imino-substituted-phenylenesulfonylimino-naphthalenetrisulfonic acid hexaalkali metal salts], useful as inhibitors of the complement system of warm-blooded animals, the amino-substituted phenylenecarbonyl (and sulfonyl)imino-substituted-phenylenesulfonylimino-naphthalenetrisulfonic acid, trialkali metal salts, which are new intermediates for the preparation of the active ureylenes, and the process for their preparation.