Building Blocks

1-Ethyl-2-ethynylbenzene is an indene that can be synthesized by the reaction of 1-ethylbenzene with ethynylmagnesium bromide and trifluoroacetyl chloride. 1-Ethyl-2-ethynylbenzene reacts as a nucleophile with electrophiles, such as phenylsulfonyl and acetylene compounds, to form sulfones and acetylenes. It can also react with tetrafluoroborates to form indenes.

2-Phenyl-1,3,4-oxadiazole is a 2-phenyloxazole with an oxygen atom at the 1 position. It is a white crystalline solid that is soluble in water and has antibacterial properties. This chemical can be used as a catalyst for the synthesis of organic compounds. 2-Phenyl-1,3,4-oxadiazole reacts with nitro groups to form oxime derivatives and has been shown to inhibit the growth of fungi such as Candida albicans and Aspergillus niger. 2-Phenyl-1,3,4-oxadiazole can also be used as an antifungal agent against Trichophyton rubrum.
2-Phenyl-1,3,4-oxadiazole may be synthesized by reacting phenol with acetone in the presence of nitric acid or sulfuric acid. The structural formula for this compound is

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

5-Ethenyl-2-methoxyphenol is a volatile compound that has been isolated from the bark of the cinnamon tree. It has shown anticancer activities "in vitro" and "in vivo". 5-Ethenyl-2-methoxyphenol has been shown to be demethylated by cytochrome P450 enzymes, which may result in its antitumor activity. This active compound can also be detected in postharvested fruit and vegetables as well as processed foods such as apple juice, tomato sauce, and dried fruits. 5-Ethenyl-2-methoxyphenol is responsible for the characteristic flavor of cinnamon, so it is often used as a flavoring agent in food processing.

Versatile small molecule scaffold

2-Ethylpyridin-4-amine is a pyridine that can be synthesized from the amination of 4-nitrophenol. It can also be synthesized by acylation of 2-ethylpyridine with ethyl chloroformate followed by cyclization. This compound has shown to have high yields in reactions involving pyridines and it is often used as a precursor for other compounds.

2-[(3,5-Dimethylphenyl)formamido]acetic acid is a compound with diverse applications and characteristics. It is a diphenyl ether that can be used as an electrode material in various electronic devices. Additionally, it has cholinergic properties, meaning it affects the neurotransmitter acetylcholine in the nervous system.

2-Bromo-1,3,5-triisopropylbenzene is an ethylene acetal that is prepared by the catalyzed reaction of aryl chlorides and anhydrous zinc bromide in the presence of triethylamine. The selectivities of this method are high because it can produce mainly a single isomer. The stereoselectivity is also high because the reaction proceeds with the formation of only one stereoisomer. The mechanism for this reaction involves a nucleophilic substitution of the halogenated aryl chloride with the trialkylborane, which generates two different products. This product has been used in the synthesis of biphenyls and nitro compounds.

4-(2-Methylphenyl)-3-thiosemicarbazide is a crystalline solid that belongs to the group of benzoic acid derivatives. It has an orthorhombic crystal structure, with a yellow color. The crystals are measured at room temperature, and it has an atomic weight of 197.11 g/mol. 4-(2-Methylphenyl)-3-thiosemicarbazide is stable in air and in solution, but decomposes at temperatures above 250°C. This compound has been studied by using X-ray diffraction measurements and Bruker parameters. Its isotropic radiation is recorded at the following wavelength: 1.5418 Å (1).

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

2-Chloro-5-nitroquinoline is an oxidized aminoquinoline that is synthesized from nitric acid and benzene. It contains a nitro group, which makes it susceptible to oxidation. 2-Chloro-5-nitroquinoline is used as a solvent for rubber, plastics, and waxes. It can also be used as a solvent in the production of quinolines and other nitrogen compounds. Nitration of this compound produces 2-chloroquinoline, which can be transformed into 2-chloroquinolinium hydroxide by reaction with sodium hydroxide. The substituent on the ortho position can be determined by oleum or bromine water.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Benzyne is a reactive intermediate that is formed by the tautomerization of 5-bromo-1,3-dimethylpyridin-2(1H)-one. It is an adduct between a bromine atom and a benzene ring. This compound has been shown to react with electron-rich olefins to form bicyclic compounds called diels-alder adducts. These reactions are often catalyzed by metals, such as palladium or nickel. Benzyne also reacts with triple bonds or other electron rich centers to form benzyne adducts, which are highly reactive and can be used as chemical probes for electron density in molecules.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

4H,5H-Pyrazolo[1,5-a]quinazolin-5-one is a class of heterocyclic compounds that inhibit the parp-1 and parp proteins. These inhibitors are low nanomolar to nanomolar in potency and have been synthesized from chloride and amides. They have been shown to be potent inhibitors of the growth of cancer cells.

Versatile small molecule scaffold

N-(3-Cyanophenyl)acetamide is a hydrogen-bonding molecule that has been detected in the gas phase. It has also been observed to interact with water, forming hydrogen bonding interactions and solvatochromism. The equilibrium of N-(3-cyanophenyl)acetamide can be shifted by changing the solvent conditions and pH. This molecule has three conformations when it is in the gaseous phase, including a planar conformation. In addition, N-(3-cyanophenyl)acetamide can be used as a probe for determining hydrogen bonding interactions and conformations due to its ability to form hydrogen bonds with other molecules.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Methyl 2-hydroxy-4-methylvalerate is an organic compound that belongs to the class of fatty acids. It is a colorless liquid with a fruity odor. Methyl 2-hydroxy-4-methylvalerate has been shown to inhibit the formation of reactive oxygen species and has antioxidant potential. It also inhibits bone resorption, which may be due to its ability to reduce levels of isobutyric acid in rats and humans. Methyl 2-hydroxy-4-methylvalerate has been found in tropical fruits such as mangoes, durians, and papayas.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

1-(2-Methylphenyl)propan-2-amine is a fatty acid ester that is used as an excipient in pharmaceutical dosage forms. It is used to increase the viscosity of drug solutions and suspensions, and to provide a protective coating for tablets. 1-(2-Methylphenyl)propan-2-amine is insoluble in water, but soluble in organic solvents such as alcohols and acetone. It can be prepared by reacting a primary amine with a fatty acid chloride or anhydride. The compound has been shown to have high affinity for 5HT2A receptors in vitro, which may account for its psychoactive effects.

Versatile small molecule scaffold