222716-36-1

Upstream product

• 27129-86-8 1-bromomethyl-3,5-dimethylbenzene 
• 27129-87-9 3,5-dimethylbenzyl alcohol 
• 108-67-8 1,3,5-trimethyl-benzene 

Downstream Products

• 13342-20-6 N-methyl-3,5-dimethylaniline 
• 78710-55-1 3,5-dimethylbenzyl amine 
• 22445-42-7 3,5-dimethylbenzonitrile 
• 1309604-30-5 1,3,5-tri(3,5-dimethylphenyl)-2,4-diazapenta-1,4-diene 
• 5779-95-3 3,5-dimethylbenzaldehyde 
• 1607804-42-1 [1-(3,5-dimethylbenzyl)-1H-1,2,3-triazol-4-yl](phenyl)methanone 
• 1607804-53-4 C₁₈H₁₉N₃ 
• 1357356-77-4 1-[1-(3,5-dimethylbenzyl)-1H-1,2,3-triazol-4-yl]-2-phenylethane-1,2-dione 
• 1376606-06-2 1-(3,5-dimethylbenzyl)-4-hexyl-1H-1,2,3-triazole 
• 1345823-28-0 1-(1-(3,5-dimethylbenzyl)-1H-1,2,3-triazol-4-yl)-2-phenylethanone 
• 1345823-40-6 1-(3,5-dimethylbenzyl)-4-phenethyl-1H-1,2,3-triazole 
• 1345823-35-9 1-(1-(3,5-dimethylbenzyl)-1H-1,2,3-triazol-4-yl)-2-(2,4-dichlorophenyl)ethanone 
• 1333141-73-3 C₁₉H₂₇N₅O₂S₂ 
• 1333142-21-4 C₂₀H₂₉N₅O₂S 

Relevant academic research and scientific papers

Structure-activity relationship among purpurinimides and bacteriopurpurinimides: Trifluoromethyl substituent enhanced the photosensitizing efficacy

At similar lipophilicity, compared to the nonfluorinated purpurinimide 11, the corresponding fluorinated analog 8 with a trifluoromethyl substituent at the lower half (position-132) of the molecule showed enhanced photosensitizing efficacy. The structural parameters established in purpurinimides (λmax: 700 nm) were successfully translated to the bacteriopurpurin imide system 19 (λmax: 792 nm) and within both series, a monotonic relationship between the lipophilicity and the in vivo PDT activity was observed. For preparing water-soluble compounds, the photosensitizers 8 and 19 were converted into the corresponding aminobenzyldiethylenetriamine pentaacetate conjugates 23 and 26. Acid treatment of purpurinimide 23 produced the corresponding water-soluble analog 24. Bacteriochlorin 26 under acidic or basic conditions mainly gave the decomposition products. At similar in vivo treatment conditions (C3H mice with RIF tumors and BALB-C mice with colon-26 tumors) the water-soluble purpurinimide 24 was found to be more effective than the methyl ester analog 8. These results suggest that besides overall lipophilicity the inherent charge of the photosensitizer also influences the PDT efficacy.

Crown ether-based rotaxane molecular machine and preparation method thereof

The invention relates to the field of molecular machinery, and aims to overcome the defects that an existing molecular machine is unreasonable in structural design and limited in effect effect between intramolecular different structures. The detection met

P-benzoquinone diazide core skeleton derivative as well as preparation method and application thereof

The invention relates to a p-benzoquinone diazide core skeleton derivative and a preparation method and application, thereof, belongs to. the field of organic chemistry, and can effectively treat-ovarian-ovarian cancer-carcinoma STAT3-ovarian, cancer-ATG4

Highly regioselective and sustainable solar click reaction: A new post-synthetic modified triazole organic polymer as a recyclable photocatalyst for regioselective azide-alkyne cycloaddition reaction

The synthesis of pharmaceutically active 1,2,3-triazoles has been continuously scrutinized in the search for unique and effective catalysts to make the process efficient, green, and sustainable. Here, we are presenting a new visible light active Ni(ii) cyclam-integrated triazole-linked organic polymer (Ni-TLOP) photocatalyst for the synthesis of 1,2,3-triazole compounds with excellent efficiency and regioselectivity. The reaction was studied for a series of substrates and the absolute regioselectivity of a representative triazole product has also been confirmed by X-ray crystallography. The proficiency and chemical orthogonality of the Ni-TLOP are remarkable and it shows enhanced efficiency and regioselectivity. The use of a recyclable photocatalyst and non-hazardous reagents makes the catalytic system sustainable and environmentally friendly. This photocatalyzed click reaction technique has been successfully applied to the expedient synthesis of one of the most sold anti-epileptic drugs rufinamide.

Naphthoquinone-fused triazole core skeleton derivative compound, preparation method and application thereof

The invention relates to a naphthoquinone-fused triazole core skeleton derivative compound, relates to a preparation method and application of the naphthoquinone-triazole core skeleton derivative compound, and belongs to the field of organic chemistry. Th

Application of the Huisgen cycloaddition and ‘click’ reaction toward various 1,2,3-triazoles as HIV non-nucleoside reverse transcriptase inhibitors

The development of novel anti-HIV agents remains an important medicinal chemistry challenge given that no cure for the disease is imminent, and the continued use of current NNRTIs inevitably leads to problems associated with resistance. Inspired by the pyrazole-containing NNRTI lersivirine (LSV), we embarked upon a study to establish whether 1,2,3-triazole heterocycles could be used as a new scaffold for the creation of novel NNRTIs. An especially attractive feature of triazoles used for this purpose is the versatility in accessing variously functionalised systems using either the thermally regulated Huisgen cycloaddition, or the related ‘click’ reaction. Employing three alternative forms of these reactions, we were able to synthesise a range of triazole compounds and evaluate their efficacy in a phenotypic HIV assay. To our astonishment, even compounds closely mimicking LSV were only moderately effective against HIV.

Benzylic C-H Azidation Using the Zhdankin Reagent and a Copper Photoredox Catalyst

An azidation method for C-N bond formation at benzylic C-H positions is described using copper-catalyzed visible light photochemistry and the Zhdankin azidoiodinane reagent. The method is applicable to a wide range of substrates bearing different functional groups and having a primary, secondary, or tertiary benzylic position, and is thought to proceed through a radical chain reaction.

Copper promoted synthesis of substituted quinolines from benzylic azides and alkynes

A novel copper promoted synthesis of substituted quinolines from various benzylic azides and internal alkynes has been demonstrated. The reaction features a broad substrate scope, high product yields and excellent regioselectivity. In contrast to the known two-step process of acid promoted [4 + 2] cycloaddition reaction and oxidation, the present methodology allows the synthesis of quinolines in a single step under neutral reaction conditions and can be applied to the synthesis of biologically active 6-chloro-2,3-dimethyl-4-phenylquinoline (antiparasitic agent) and 3,4-diphenylquinolin-2(1H)-one (p38αMAP kinase inhibitor). A plausible reaction mechanism involves rearrangement of benzylic azide to N-arylimine (Schmidt reaction) followed by intermolecular [4 + 2] cycloaddition with internal alkynes.

Optically pure heterobimetallic helicates from self-assembly and click strategies

Single diastereomer, diamagnetic, octahedral Fe(ii) tris chelate complexes are synthesised that contain three pendant pyridine proligands pre-organised for coordination to a second metal. They bind Cu(i) and Ag(i) with coordination geometry depending on the identity of the metal and the detail of the ligand structure, but for example homohelical (ΔFe, ΔCu) configured systems with unusual trigonal planar Cu cations are formed exclusively in solution as shown by VT-NMR and supported by DFT calculations. Similar heterobimetallic tris(triazole) complexes are synthesised via clean CuAAC reactions at a tris(alkynyl) complex, although here the configurations of the two metals differ (ΔFe, ΛCu), leading to the first optically pure heterohelicates. A second series of Fe complexes perform less well in either strategy as a result of lack of preorganisation.

Chemical synthesis and biological evaluation of triazole derivatives as inhibitors of InhA and antituberculosis agents

A series of triazoles have been prepared and evaluated as inhibitors of InhA as well as inhibitors of Mycobacterium tuberculosis H37R v. Several of these new compounds possess a good activity against InhA, particularly compounds 17 and 18 for which molecular docking has been performed. Concerning their activities against M. tuberculosis H 37RV strain, two of them, 3 and 12, were found to be good inhibitors with MIC values of 0.50 and 0.25 μg/mL, respectively. Particularly, compound 12 presenting the best MIC value of all compounds tested (0.6 μM) is totally inactive against InhA.