50900-49-7

Basic information

• Product Name: Benzoic acid, 2-[(3-methoxyphenyl)thio]-
• CAS NO: 50900-49-7
• Molecular Formula: C14H12O3S
• Molecular Weight: 260.313
• Mol File: 50900-49-7.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 2-[(3-methoxyphenyl)thio]-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 2-[(3-methoxyphenyl)thio]-(50900-49-7)
• EPA Substance Registry System: Benzoic acid, 2-[(3-methoxyphenyl)thio]-(50900-49-7)

Safety Data

• Hazardous Substances Data: 50900-49-7(Hazardous Substances Data)

Upstream product

• 766-85-8 3-methoxy-1-iodobenzene 
• 147-93-3 Thiosalicylic acid 
• 2398-37-0 3-methoxyphenyl bromide 
• 88-67-5 2-Iodobenzoic acid 
• 15570-12-4 3-methoxybenzenethiol 

Downstream Products

• 127906-92-7 N-Methyl-N-(2-dimethylaminoethyl)-2-(3-methoxyphenylthio)benzylamine 
• 129162-36-3 N-(2-Dimethylaminoethyl)-2-(3-methoxyphenylthio)benzylamine 
• 127906-58-5 3-(2-Dipropylaminomethyl-phenylsulfanyl)-phenol 
• 127906-55-2 3-(2-Diethylaminomethyl-phenylsulfanyl)-phenol 
• 127905-71-9 N,N-Dimethyl-2-(3-methoxyphenylthio)benzylamine 
• 127906-61-0 3-{2-[(Diisopropylamino)-methyl]-phenylsulfanyl}-phenol 
• 127926-82-3 [2-(3-Methoxy-phenylsulfanyl)-benzyl]-methyl-amine 
• 127906-33-6 3-(2-Methylaminomethyl-phenylsulfanyl)-phenol 
• 127905-93-5 2-(3-Methoxy-phenylsulfanyl)-benzylamine 
• 127906-44-9 3-(2-Aminomethyl-phenylsulfanyl)-phenol 
• 127906-90-5 N-(2-dimethylaminoethyl)-2-(3-methoxyphenylthio)benzamide 
• 127905-64-0 2-(3-Methoxy-phenylsulfanyl)-N,N-dipropyl-benzamide 
• 127905-67-3 N,N-Di(2-propyl)-2-(3-methoxyphenylthio)benzamide 
• 127906-09-6 [2-(3-Methoxy-phenylsulfanyl)-benzyl]-dipropyl-amine 

Relevant articles and documents

Rational design of triplet sensitizers for the transfer of excited state photochemistry from UV to visible

Time Dependent Density Functional Theory has been used to assist the design and synthesis of a series thioxanthone triplet sensitizers. Calculated energies of the triplet excited state (ET) informed both the type and position of auxochromes placed on the thioxanthone core, enabling fine-tuning of the UV-vis absorptions and associated triplet energies. The calculated results were highly consistent with experimental observation in both the order of the λmax and ET values. The synthesized compounds were then evaluated for their efficacies as triplet sensitizers in a variety of UV and visible light preparative photochemical reactions. The results of this study exceeded expectations; in particular [2 + 2] cycloaddition chemistry that had previously been sensitized in the UV was found to undergo cycloaddition at 455 nm (blue) with a 2- to 9-fold increase in productivity (g/h) relative to input power. This study demonstrates the ability of powerful modern computational methods to aid in the design of successful and productive triplet sensitized photochemical reactions.

Synthesis of s-pixyl derivatives for mass spectrometric applications

Synthesis of novel S-pixyls based on the thioxanthyl skeleton is described. Thioxanthone derivatives were prepared by a regioselective intramolecular Friedel-Crafts acylation reaction and converted into S-pixyl derivatives by Grignard synthesis. S-Pixyl carbocations stabilised by electron donating groups on the thioxanthyl backbone produced exceptional mass spectra under (MA)LDI conditions (laser desorption ionisation, both with and without matrix), and can be detected down to femtomol levels. Georg Thieme Verlag Stuttgart.

Neurotropic and psychotropic agents. LXIII. 7 methoxy 10 (4 methylpiperazino) dibenzo[b,f]thiepin and its 10,11 dihydro derivative

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