41394-95-0

Basic information

• Product Name: 2-(Isopropylsulfanyl)benzoic acid
• Synonyms: 2-(Isopropylsulfanyl)benzoic acid;2-propan-2-ylsulfanylbenzoic acid;STK288483
• CAS NO: 41394-95-0
• Molecular Formula: C₁₀H₁₂O₂S
• Molecular Weight: 196.26608
• Mol File: 41394-95-0.mol
• Article Data: 9

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-(Isopropylsulfanyl)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(Isopropylsulfanyl)benzoic acid(41394-95-0)
• EPA Substance Registry System: 2-(Isopropylsulfanyl)benzoic acid(41394-95-0)

Safety Data

• Hazardous Substances Data: 41394-95-0(Hazardous Substances Data)

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 
• 154550-04-6 isopropyl (2-isopropylthio)benzoate 
• 75-29-6 isopropyl chloride 
• 147-93-3 Thiosalicylic acid 
• 75-30-9 2-iodo-propane 
• 124-38-9 carbon dioxide 

Downstream Products

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

Relevant articles and documents

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.

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.

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