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Δ6-5,6-diphenyl-5-methoxy-1,2,4-triazacyclohexene-3-thione is a complex organic compound with a unique chemical structure. It is characterized by a triazacyclohexene ring system, which is a six-membered ring containing three nitrogen atoms. The molecule features two phenyl groups attached to the 5 and 6 positions of the ring, and a methoxy group at the 5 position. The presence of a thione group at the 3 position further distinguishes Δ6-5,6-diphenyl-5-methoxy-1,2,4-triazacyclohexene-3-thione. This chemical is likely to be found in specialized applications, such as in the synthesis of pharmaceuticals or as a research tool in organic chemistry, due to its specific structural features.

30131-94-3

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30131-94-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 30131-94-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,0,1,3 and 1 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 30131-94:
(7*3)+(6*0)+(5*1)+(4*3)+(3*1)+(2*9)+(1*4)=63
63 % 10 = 3
So 30131-94-3 is a valid CAS Registry Number.

30131-94-3Relevant academic research and scientific papers

Crystal and molecular structure of Δ6-5,6-diphenyl-5-methoxy-1,2,4-triazacyclohexene-3-thione and Δ6-4-methyl-5,6-diphenyl-5-ethoxy-1,2, 4-triazacyclohexene-3-thione

Bermejo, Elena,Casti?eiras, Alfonso,West, Douglas X.

, p. 93 - 97 (2003)

Condensation of thiosemicarbazide or N(4)-ethylthiosemicarbazide with 1,2,8,9-tetraphenyl-3,7-diazanona-1,9-dione in the presence of copper(II) acetate in 96% ethanol leads to Δ6-5,6-diphenyl-5-methoxy-1,2,4-triazacyclohexene-3-thione, C16H15N3OS, or Δ6-4-methyl-5,6-diphenyl-5-ethoxy-1,2, 4-triazacyclohexene-3-thione, C18H19N3OS. For C16H15N3OS the crystal data are monoclinic, P21/c, a = 9.7780(7), b = 8.5120(3), c = 18.2210(13) A?, β = 100.958(3)°, V = 1488.89(16) A?3, and Z = 4 in agreement with an earlier report. For C18H19N3OS the crystal data are orthorhombic, P212121 a = 8.6940(3), b = 12.9946(3), c = 15.5139(5) A?, V = 1752.68(9) A?3, and Z = 4.

Synthesis of hybrid ligands derived from benzil, thiosemicarbazide and heteroaromatic hydrazides and their reactivity with group 12 metals

Calatayud, David G.,López-Torres, Elena,Antonia Mendiola

, p. 39 - 46 (2013/07/25)

Two new dissymmetric ligands were synthesized by successive condensations of 2,3-diphenylethanedione with 2-hydrazinepyridine or 2-hydrazinequinoline and thiosemicarbazide. As hydrochloric acid was necessary for the condensation reactions, the ligands were obtained as the chloride salts. While the pyridine derivative [H3BTsP]Cl was obtained in a reasonable yield, the quinoline-containing one [H3BTsQ]Cl was isolated in a small amount, so its reactivity with metal salts was not explored. By contrast, three new complexes with zinc, cadmium and mercury nitrates, [ZnCl(H2BTsP)] NO3 (1), [Cd(H2BTsP)(NO3)2] (2) and [Hg(H2BTsP)(NO3)]NO3 (3), were obtained with [H3BTsP]Cl. In all the complexes the ligand behaves as a neutral tetradentate donor giving rise to monomeric species in which the metal coordination environment is completed by chlorido or nitrato groups. The ligands and the complexes were characterized by elemental analysis, molar conductivity, mass spectrometry, IR, 1H and 13C NMR spectroscopy and most of them by X-ray single crystal diffraction.

Synthesis and voltammetric study of some new macrocyclic sulfur compounds for use as chelating agents for separation of arsenic (III) in wastewater and as molluscicidal agents against Biomophalaria Alexandrina Snails

Makki,Abdel-Rahman,El-Shahawi

experimental part, p. 617 - 626 (2012/08/28)

A series of some new nanomeric molecules of cyclic 5- methoxy -5, 6-diaryl -4,5-dihydro -2H-1,2,4-triazin -3-thiones (1-3) has been synthesized. The interaction of compounds 1-3 with HgCl2 in 1:1 and 1:2 molar ratios was used for the synthesis

Diorganotin(IV) complexes of a cyclic thiosemicarbazone ligand: Crystal structures of [SnPh2(C15H10N3S)Cl] and [SnMe2(C15H10N3S)2]

Lopez-Torres, Elena,Mendiola, M. Antonia,Pastor, Cesar J.,Procopio, Jesus R.

, p. 2711 - 2717 (2007/10/03)

Treatment of 5-methoxy-5,6-diphenyl-4,5-dihydro-2H-[1,2,4]triazine-3-thione (LH2OCH3) with compounds SnR2X2 (R = Me and Ph; X = Cl and NO3) afforded, for the first time, metal derivatives of a cyclic

Macrocyclization of cyclic thiosemicarbazones with mercury salts

Blanco, M.Aránzazu,López-Torres, Elena,Mendiola, M.Antonia,Brunet, Ernesto,Sevilla, M.Teresa

, p. 1525 - 1531 (2007/10/03)

A new cyclic Schiff base L1H3 derived from benzil and thiosemicarbazide has been prepared in the presence of NaBH4. Reactions of the new molecule and the cyclic 5-methoxy-5,6-diphenyl-4,5-dihydro-2H-[1,2,4]triazine-3-thione L2H2 with mercury chloride and nitrate are reported. Complexes of 1:2 stoichiometry are obtained from L1H3, but the reactions from L2H2 yield complexes of the macrocyclic Schiff base 5,6,11,12-tetraphenyl-1,2,4,7,8,10-hexaaza-cyclododeca-4,6,10,12-tetraene-3, 9-dithione L3H2, which indicates the macrocyclization of L2H2. A mechanism for the cyclization reaction based on the rupture of the C-N single bond in L2H2 is proposed. The electrochemical results of complex L3Hg makes it and its precursors, L2H2 and L3H2, outstanding candidates for mercury determination by appropriate electrode modification.

Selective access to new semicarbazones and thiosemicarbazones derived from benzil. Study of their conversion reactions

Arquero, Agueda,Canadas, Marta,Martinez-Ripoll, Martin,Mendiola, Ma. Antonia,Rodriguez, Ana

, p. 11271 - 11284 (2007/10/03)

New Schiff bases from benzil with semicarbazide and thiosemicarbazide are reported. An open chain molecule, benzilbissemicarbazone 1 was prepared in presence of lithium hydroxide. A cycle 6-methoxy-1,6-diphenyl-4-thio- 3,4,5,6-tetrahydro-2,3,5-triazine 7 was obtained from thiosemicarbazide. A cyclic molecule, 1,6-diphenyl-4-oxo-3,4,5,6-tetrahydro-2,3,5-triazine 4 was produced from the recrystallization of 3 in chloroform. A new macrocyclic complex 8 was isolated from the open chain 6 in the presence of iron (III) chloride hexahydrated. Compounds 1, 2 convert into the cyclic 3 heated under reflux. In addition, we have got an iron complex 5 of 1 using the compound 2 as precursor. The crystal structure of 7 was obtained by single crystal X- Ray diffraction.

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