41361-11-9

Upstream product

• 90-02-8 salicylaldehyde 
• 2231-57-4 Thiocarbohydrazide 

Downstream Products

• 35541-20-9 1,3-bis({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino})thiourea 
• 1333415-57-8 C₁₄H₁₄N₄O₃S 
• 1254335-87-9 C₁₀H₁₀N₄O₂S 

Relevant academic research and scientific papers

Heterocyclisation of substituted ylidenethiocarbonohydrazides using dimethyl acetylenedicarboxylate

A facile and rapid procedure for the synthesis of dimethyl-2-[3-amino-5-(2-methoxy-2-oxoethylidene)- 4-oxothiazolidin-2-ylidenehydrazono]succinate, dimethyl {[2-alkylidenehydrazono)-5-(2-methoxy- 2-oxoethylidene)-4-oxothiazolidin-3-yl)amino]succinate and

Synthesis, physicochemical characterization, and TD–DFT calculations of monothiocarbohydrazone derivatives

Derivatives of thiocarbohydrazone studied so far have shown great biological activity such as antioxidant, antimicrobial, and anticancer. Most of these compounds are bis-substituted derivatives, while monothiocarbohydrazones are much less investigated. Еighteen monothiocarbohydrazones were synthesized and subjected to physicochemical characterization in order to facilitate the examination of their potential biological activity and application in future studies. The structure of synthesized derivatives was confirmed with NMR and FT–IR spectroscopy, and with elemental analysis. For one of the compounds, single-crystal X-ray diffraction analysis was performed. Specific and non-specific molecular interactions were interpreted by LSER principles, using Catalan’s model. For additional information about the dominance and influence of the interactions presented, correlations with Hansen’s solubility parameters were calculated. Influence of the type and position of the substituent on absorption maxima was determined with LFER (linear free-energy relationship) principles, using Hammett’s equation. Acidity constants of the synthesized compounds were theoretically calculated and experimentally determined. Moreover, the excitation of a molecule by a photon of UV–Vis light was interpreted by time-dependent density functional theory (TD–DFT) calculations of UV absorption bands, and intramolecular charge transfer (ICT) was quantified by calculations of the charge transfer distances (DCT).

Preparation method and application of compound. (by machine translation)

The invention also discloses a preparation method of the compound, as shown in the formula I or II or a compound, of formula I or a compound of formula II, and uses, of the compound, diastereomer, racemic, pharmaceutically acceptable salt. as well as the

A compression ammonia urea apperception compound of preparation method and in biological and medical application

The present invention provides a semicarbazone compound preparation method and application in biomedicine. The compound is a compound of formula (I) or an enantiomer, a diastereomer, a raceme, a pharmaceutically acceptable salt, a crystalline hydrate or a solvate thereof. The compound has the formula shown in the description, wherein X is sulfur or oxygen; R1 and R2 are separately and independently hydrogen and alkyl containing 1-3 carbon atoms or N=CHR 5, wherein R5 is optionally substituted aryl or optionally substituted alkyl; R3 and R4 are separately and independently hydrogen or alkyl containing 1-3 carbon atoms or substituents selected from formulas III, III, IV, and V shown in the description, wherein X1 is sulfur or oxygen. Y, Y1 and Y2 are separately and independently at least one of hydrogen, alkyl containing 1-3 carbon atoms, halogen, hydroxy, methoxy, amino, sulfonic acid group, nitro, carboxyl, thiol, methylamino, ethylamino, dimethylamino or diethylamino; and Z1 is hydrogen, alkyl containing 1-3 carbon atoms, halogen, hydroxy, amino, methylamino, ethylamino, dimethylamino or diethylamino. The semicarbazone compound is applicable to related diseases caused by copper metabolic dysfunction.

Solvent-free synthesis of novel unsymmetric chenodeoxycholic acid bis thiocarbazone derivatives promoted by microwave irradiation and evaluation of their antibacterial activity

Eleven new non-symmetric chenodeoxycholic acid bis thiocarbazones were efficiently synthesized via the condensation of steroidal diketones (methyl (5β)-3,7-dioxocholan-24-oate) and substituted benzaldehyde thiocarbohydrazones by means of microwave irradiation. Compared with the conventional heating method, the yields were increased from 31-58% to 80-89% and the reaction times were reduced from 420-520 min to 5.0-7.5 min. The structures of these novel compounds were characterized by spectral data and elemental analysis. Four compounds (7a, 7c, 7f and 7g) possess excellent activity against Bacillus subtilis and Staphylococcus aureus.

Synthesis of new deoxycholic acid bis thiocarbazones under solvent-free conditions using microwave irradiation

A simple method for the synthesis of new deoxycholic acid bis thiocarbazones under solvent-free conditions using microwave irradiation has been developed. Its main advantages are short reaction times, good conversions and the environmentally friendly nature of the process. Their structures were characterised by 1H NMR, IR, ESI-MS spectra and elemental analysis. The preliminary results indicate that some of these compounds possess inhibitory effects against Escherichia coli.

Synthesis of new ferrocene bis thiocarbazones under solvent-free conditions using microwave

A simple efficient method for the synthesis of new ferrocene bis thiocarbazones via microwave irradiation under solvent-free conditions has been developed. Compared to the conventional method, its major advantages are short reaction times, good conversions and actually accorded the green synthesis technology. The structures of target compounds were confirmed by 1H NMR, IR, ESI-MS spectra data and elemental analysis. Preliminary bioassay results showed that some of these compounds possess inhibitory effects against S. aureus, S. pyogenes and E. coli bacteria.

Efficient synthesis of some novel spiro heterocycles containing triazine nucleus and their microbiological activity

The compound 4-[(2,4-substituted benzylidine)-amino]-.-thioxo-1,2,4- triazin-5-one 2 is treated with bromine in glacial acetic acid to yield, 4-[(2,4-substituted benzylidine)-amino]-6,.-dibromo-3-thioxo-1,2,4-triazin-5-one 3. The dibromo compound 3 is then subjected to reaction with substituted triazoles and amino thiophenol to furnish, 1-thia-2,3-(3'-substituted)-triazolo- 4,6,7,.-tetraza-4,6,7-trihydro-8-thioxo-10-oxo-9[(2"/4" substituted benzylidine)-amino]spiro[4.5]decane 4 and, 1-thia-2,3-(3.-substituted)-benzo-4, 6,7,9-tetraza-4,6,7-trihydro-8-thioxo-10-ox.-9[(2"/4" substituted benzylidine)-amino]spiro[4.5]decane 5, respectively. The compounds have been synthesized by conventional methods. The IR, 1H NMR, 13C NMR and mass spectral fragmentation patterns of some prepared compounds have been investigated to elucidate the structure of the synthesized compounds. The final compounds have also been screened for microbiological activity, which show some inhibitory action against gram positive and gram negative micro organisms.

RING-CHAIN AND RING-LINEAR-RING TAUTOMERISM IN THIOCARBONOHYDRAZONES

The structure of the thiocarbonohydrazones of monocarbonyl compounds was studied by 1H and 13C NMR spectroscopy in solutions and by mass spectrometry in the gas phase. In solutions, irrespective of the substitution in the aromatic ring and in the hydrazine fragment, the thiocarbonohydrazones of aromatic aldehydes exist in the linear form, whereas the 2- and 5-substituted thiocarbonohydrazones of ketones are susceptible to ring-chain tautomerism: Thiocarbonohydrazone - 4-amino-1,2,4-triazolidine-3-thione. Those not having substituents at the nitrogen atoms are susceptible to ring-linear-ring equilibria: Hexahydro-1,2,4,5-tetrazine-3-thione - thiocarbonohydrazone - 4-amino-1,2,4-triazolidine-3-thione. In the gas phase under conditions of high vacuum, according to the mass spectra, the coexistence of four tautomeric forms (linear, tetrazine, triazolidine, and 2-hydrazino-1,3,4-thiadiazolidine) is possible in individual cases.