41394-95-0

Usage

Structure

Benzene ring with a carboxylic acid group and an isopropylsulfanyl group
The compound is composed of a benzene ring (a six-carbon ring with alternating single and double bonds) with a carboxylic acid group (-COOH) and an isopropylsulfanyl group (-SCH(CH3)2) attached to it.

Use in organic synthesis

Building block for complex organic molecules
2-(Isopropylsulfanyl)benzoic acid serves as a fundamental component in creating more complex organic molecules, which can be further utilized in various applications.

Pharmaceutical research and drug development

Potential applications
The compound may have potential applications in the development and manufacturing of pharmaceuticals, contributing to the creation of new drugs and treatments.

Reagent in chemical reactions

Facilitating chemical processes
2-(Isopropylsulfanyl)benzoic acid can be used as a reagent in various chemical reactions, helping to facilitate and promote specific chemical processes.

Precursor in the synthesis of organic compounds

Foundation for creating other substances
As a precursor, the compound serves as a starting material in the synthesis of various organic compounds, playing a crucial role in their development and production.

Upstream product

• 109-72-8 n-butyllithium 
• 60-29-7 diethyl ether 
• 3019-20-3 isopropylthiobenzene 
• 75-26-3 isopropyl bromide 
• 4892-02-8 Methyl thiosalicylate 
• 124-38-9 carbon dioxide 
• 154550-04-6 isopropyl (2-isopropylthio)benzoate 
• 147-93-3 Thiosalicylic acid 
• 75-30-9 2-iodo-propane 
• 75-29-6 isopropyl chloride 

Downstream Products

• 1242951-52-5 (2-isopropylthiobenzoyl)ferrocene 
• 154550-03-5 methyl 2-isopropylmercaptobenzoate 
• 1071065-59-2 2-[(propan-2-yl)sulfanyl]benzyl alcohol 
• 1631135-05-1 N¹-(2-(isopropylthio)benzyl)-N²-(2,4,6-trimethylphenyl)-ethane-1,2-benzamide 
• 1607022-02-5 N¹-(2-(isopropylthio)benzyl)-N²-(2,4,6-trimethylphenyl)-ethane-1,2-diamine 
• 1607022-04-7 N¹-(2-(isopropylthio)benzyl)-N³-(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride 
• 20884-63-3 2-isopropylsulfonylbenzoic acid 
• 1383944-26-0 2-(2-isopropylsulfanylphenyl)-3-methyl-6-trifluoromethyl-3H-imidazo[4,5-b]pyridine 
• 207512-65-0 Pd(OOCC₆H₄SCH(CH₃)2)(P(C₆H₅)3)(C₆H₅) 
• 53606-32-9 2-(isopropylsulfanyl)benzenecarbaldehyde 
• 207512-63-8 trans-2-isopropylthiobenzoatobis(triphenylphosphine)phenylpalladium(II) 
• 144672-61-7 2-(isopropylthio)benzoyl chloride 

Relevant academic research and scientific papers

Synthesis, characterization and cytotoxic activity of binuclear copper(II)-complexes with some S-isoalkyl derivatives of thiosalicylic acid. Crystal structure of the binuclear copper(II)-complex with S-isopropyl derivative of thiosalicylic acid

Isoalkyl (isoalkyl = isopropyl-(L1), isobutyl-(L2) and isoamyl-(L3)) derivatives of thiosalicylic acid (TSA) were prepared by alkylation of TSA with corresponding isoalkyl-chlorides in the alkaline water-ethanol solution. The new free copper(II)-complexes with corresponding S-isoalkyl derivatives of TSA (C1-copper(II)-complex with S-isopropyl derivative of thiosalicylic acid, C2-copper(II)-complex with S-isobutyl derivative of thiosalicylic acid and C3-copper(II)-complex with S-isoamyl derivative of thiosalicylic acid) have been synthesized by direct reaction of copper(II)-nitrate with ligand precursor and then characterized by microanalysis, infrared spectra (IR) and EPR (electron paramagnetic resonance) spectra. The spectroscopically predicted structure of the obtained binuclear copper(II)-complex with S-isopropyl derivative of thiosalicylic acid was confirmed by X-ray analysis. Single crystals suitable for X-ray measurements were obtained by slow crystallization from a water solution. Newly synthesized precursors S-isoalkyl derivatives of thiosalicylic acid and corresponding copper(II)-complexes moderately reduced viability of human and murine lung cancer cells, they showed similar cytotoxic effect on human colorectal cancer cells as cisplatin and lower cytotoxic effect than cisplatin toward normal fibroblasts, evaluated by MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide) colorimetric technique. All new complexes exhibited apoptotic effect toward lung cancer cells, stronger than cisplatin, whereas only C3 induced significant apoptosis of colorectal cancer cells. Complex C1 showed significant antiproliferative effect against murine lung cancer cells, LLC1, while C2 reduced expression of Ki67 in human colorectal cancer cells. All tested complexes induced cell cycle arrest of HCT116 cells in G2/M phase.

New piperazine derivatives having anti-cancer effect, combination therapeutic effect with radiation, and anti-diabetic effect, and PPAR activity, and medical use thereof

The present invention relates to a novel piperazine derivative having an anti-cancer effect, a combination therapeutic effect with radiation, and an anti-diabetic effect, and to a medical use thereof. The piperazine derivatives are PPAR-γ ligand, and have

PIPERAZINYL METHANONE NAAA INHIBITORS

Disclosed herein, inter alia, are compositions and methods for modulating the activity of N-acylethanolamine acid amidase for the treatment of a pathological state, including pain, an inflammatory condition, or a neurodegenerative disorder.

Second-Generation Non-Covalent NAAA Inhibitors are Protective in a Model of Multiple Sclerosis

Palmitoylethanolamide (PEA) and oleoylethanolamide (OEA) are endogenous lipid mediators that suppress inflammation. Their actions are terminated by the intracellular cysteine amidase, N-acylethanolamine acid amidase (NAAA). Even though NAAA may offer a new target for anti-inflammatory therapy, the lipid-like structures and reactive warheads of current NAAA inhibitors limit the use of these agents as oral drugs. A series of novel benzothiazole–piperazine derivatives that inhibit NAAA in a potent and selective manner by a non-covalent mechanism are described. A prototype member of this class (8) displays high oral bioavailability, access to the central nervous system (CNS), and strong activity in a mouse model of multiple sclerosis (MS). This compound exemplifies a second generation of non-covalent NAAA inhibitors that may be useful in the treatment of MS and other chronic CNS disorders.

Synthesis, spectral characterization and electrochemical properties of (2-alkylthiobenzoyl)ferrocenes. Crystal structures of 2-methylthio, 2-ethylthio and 2-isopropylthio derivatives

The one-pot synthesis of seven new (2-alkylthiobenzoyl)ferrocenes has been achieved by Friedel-Crafts acylation of ferrocene with acid chlorides generated in situ from the corresponding carboxylic acids and phosphorous trichloride. The obtained compounds

Syntheses, structures, and catalytic activities of hemilabile thioether-functionalized NHC complexes

Four imidazolium (5a/b) and benzimidazolium (6a/b) salts with hemilabile alkyl-aryl thioether functions have been prepared via a straightforward and modular pathway in order to compare their reactivities toward palladation. Reaction of 5a/b with Pd(OAc)s

SULPHUR-CONTAINING METATHESIS CATALYSTS

The present invention relates to novel transition metal complexes of the formula (I) to a process for preparing these transition metal complexes and to the use of the transition metal complexes as catalysts in metathesis reactions.

Pyrolysis of O-Allyl Salicylic Amides and Esters, and Related Compounds: Foemation of Isoindolones and Phthalides

Flash vacuum pyrolysis of O-allyl salicylic alkylamides and alkyl esters gives isoindolones and phthalides, respectively, in low (20-40percent) yield.The mechanism involves generation of the phenoxyl radical, regiospecific hydrogen-atom transfer from the alkylamide (or alkyl ester) group and cyclization.A similar sequence was observed with thiophenoxyl radicals.

ORTHO-LITHIATION OF PHENYLTHIOETHERS- AND SOME APPLICATIONS

A preparative procedure for the ortho-lithiation of phenylthioethers C6H5SR 1 is described.The preparations of 2-alkylthio-substituted benzoic acids 3, benzophenones 5 and phenylphosphines 6 were carried out in isolated yields of 38-73percent, depending on reaction and substituent.The procedure provides a simple route to dithiocatechol and trithiopyrogallol derivatives 7 and 8.The ring-lithiation step gives the best results for R=t-C4H9 (80-90percent) and R=i-C3H7 (70-80percent).R=C2H5 gave lower yields (ca.45percent), while R=CH3 gave principally lithiation at alkyl carbon.