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1,3,5-Cycloheptatriene-7-thione is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

30456-90-7

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30456-90-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 30456-90-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,0,4,5 and 6 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 30456-90:
(7*3)+(6*0)+(5*4)+(4*5)+(3*6)+(2*9)+(1*0)=97
97 % 10 = 7
So 30456-90-7 is a valid CAS Registry Number.

30456-90-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name cyclohepta-2,4,6-triene-1-thione

1.2 Other means of identification

Product number -
Other names Tropothione

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:30456-90-7 SDS

30456-90-7Relevant academic research and scientific papers

TROPOTHIONE. SYNTHESIS, SPECTRA AND CHEMICAL REACTIONS

Machiguchi, Takahisa,Otani, Hiroyuki,Ishii, Yukiko,Hasegawa, Toshio

, p. 203 - 206 (1987)

Tropothione has been effectively synthesized as unstable red crystals and fully characterized by various spectroscopies as well as pKa and dipole moment measurements together with chemical characterization reactions.The properties of tropothione was revealed to differ considerably from those of tropone.

Synthesis and Isolation of Tropothione: A Comparative Study of Spectral Property with Tropone

Machiguchi, Takahisa

, p. 1133 - 1142 (1995)

The synthesis, isolation, and spectral characterization of tropothione (1), the sulfur analogue of tropone (2), are described with comparison of those for 2.Direct sulfurization of 2 with tetraphosphorous decasulfide using triethylamine as a catalyst yields the titled compound 1 in high yield.Although 1 is thermally unstable material 1/2(crystalline state, 0 deg C) 56 min>, dilute solutions are found to be sufficiently stable enough for measuring spectral data 1/2(0.01 mol/L, 25 deg C) 10.4 days>.The compound 1 is isolated as a labile material of deep red crystals with the melting range of 20-21 deg C.IR spectrum of 1 exhibits a very strong band of the νC=S stretching vibration at 1087 cm-1 in CCl4.Raman spectrum supports the assignment.UV-visible spectra in six solvents show three transitions at around 225 (log ε ca. 4), 253 (ca. 4), and 380 nm (ca. 4.2), while 1 exhibits an additional weak absorption of n-?* transitions at 610 nm (log ε 1.62). 1H NMR of 1 shows wide signals of symmetrical AA'BB'XX' pattern comprising with a large downfield part of α-protons in the ring due to the magnetic anisotropy of the C=S group greater than that of C=O one in 2. 13C NMR of 1 displays three doublet signals (δ 131.48, 138.36, and 153.80) accompanying with the singlet one at δ 213.83 (C=S). 33S NMR of 1 exhibits δ-287 as the first measurement for thiocarbonyl compounds.These physical properties of 1 are in sharp contrast to those of 2.

Inverting the reactivity of troponoid systems in enantioselective higher-order cycloaddition

Frankowski, Sebastian,Skrzyńska, Anna,Albrecht, ?ukasz

supporting information, p. 11675 - 11678 (2019/10/02)

By the replacement of the oxygen with the sulfur atom in tropone, a novel reactivity pattern of troponoid systems in enantioselective transformation was achieved. It utilizes tropothione as an 8π-component in the [8+2]-cycloaddition involving α,β-unsaturated aldehydes. The stereochemistry of the process is governed through the aminocatalytic LUMO-activation of the carbonyl reactant. It is in marked contrast to recently developed aminocatalytic higher-order cycloadditions proceeding via HOMO-activation strategies.

ZUR ZUORDNUNG DER 13C-NMR-SPEKTREN DES TROPONS UND DES THIOTROPONS

Poleschner, Helmut,Radeglia, Reiner

, p. 193 - 200 (2007/10/02)

The 13C-NMR-spectrum of tropone is assigned precisely by the combined application of various methods (shift reagent technique, off-resonance at different decoupling frequencies for 1H-13C shift correlation).The results confirm previously obtained data.The assignment of the thiotropone 13C-NMR chemical shifts is brought about by a correlation between the respective thiotropone and tropone shift values at the same positions.This means that previously published data should be revised.The research deals with the shift effects (1.) during the change from carbonyl to the thiocarbonyl compound in the series tropone/thiotropone as well as the iso ? electronic sulfur heterocycles thiopyrane-2-one/thiopyrane-2-thione, 1,2-dithiole-3-one/1,2-dithiole-3-thione and 1,3-dithiole-2-one/1,3-dithiole-2-thione and (2.) in the series tropone, cyclohepta-2,4-dienone, cyclohepta-2,6-dienone, cyclohept-2-enone and cycloheptanone.In this series a transition from a shift sequence typical of α,β-unsaturated carbonyl compounds to a tropone like shift sequence can be observed.

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