6573-11-1

Basic information

• Product Name: 1,4,7-TRITHIACYCLONONANE
• Synonyms: 1,4,7-TRITHIACYCLONONANE;TRIETHYLENE TRISULFIDE;[9]aneS3;Hexahydro-1,4,7-trithionin;1,4,7-Trithiacyclononane,Triethylene trisulfide;1,4,7-Trithiacyclononane 97%;1,4,7-trithionane
• CAS NO: 6573-11-1
• Molecular Formula: C₆H₁₂S₃
• Molecular Weight: 180.35
• Product Categories: Crown Ethers;Functional Materials;Macrocycles for Host-Guest Chemistry
• Mol File: 6573-11-1.mol

Chemical Properties

• Melting Point: 78-81 °C(lit.)
• Boiling Point: 308.6°C at 760 mmHg
• Flash Point: 149.3°C
• Appearance: /
• Density: 1.14g/cm³
• Vapor Pressure: 0.00123mmHg at 25°C
• Refractive Index: 1.573
• BRN: 1616445
• CAS DataBase Reference: 1,4,7-TRITHIACYCLONONANE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,4,7-TRITHIACYCLONONANE(6573-11-1)
• EPA Substance Registry System: 1,4,7-TRITHIACYCLONONANE(6573-11-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 6573-11-1(Hazardous Substances Data)

Usage

Uses

Used in Catalyst Applications:
1,4,7-Trithiacyclononane is used as a ligand in the formation of metal complexes for [application reason] enhancing the electronic and redox properties of the resulting compounds.
Used in Chemical Industry:
1,4,7-Trithiacyclononane is used as a catalyst in the C-H activation reactions for [application reason] its ability to form palladium(II) thioether complexes with palladium metal ions, which are effective catalysts in these reactions.
Used in Oxidation Reactions:
1,4,7-Trithiacyclononane is used as a catalyst for the oxidation of olefins, alkanes, and alcohols in the [Application Industry] chemical industry for [application reason] its manganese complex, which is an efficient catalyst for these types of oxidation reactions.

InChI:InChI=1/C6H12S3/c1-2-8-5-6-9-4-3-7-1/h1-6H2

Upstream product

• 92314-36-8 bis(tetramethylammonium) 3-thiapentane-1,5-dithiolate 
• 106-93-4 ethylene dibromide 

Downstream Products

• 133288-16-1 {Cu({9}aneS₃)(AsPh₃)}ClO₄ 
• 133288-18-3 {Cu({9}aneS₃)(PPh₃)}ClO₄ 
• 125456-72-6 {Cu(1,4,7-trithiacyclononane)2}(PF₆) 
• 141713-38-4 {RuH(CS)PPh₃(1,4,7-tetrathiacyclononane)}ClO₄ 
• 141713-36-2 {RuCl(CS)PPh₃(1,4,7-tetrathiacyclononane)}ClO₄ 
• 141738-34-3 [RuCl₂(PPh₃)([9]aneS₃)] 
• 146684-40-4 carbonyl(triphenylphosphine)(1,4,7-trithiacyclononane-S,S',S'')rhodium hexafluorophosphate 
• 142417-94-5 RuCl(P(CH₃)2C₆H₅)2C₆H₁₂S₃⁽¹⁺⁾ 

Relevant articles and documents

UEBERGANGSMETALLKOMPLEXE MIT SCHWEFELLIGANDEN. X. SUBSTITUTIONS- UND REDOX-REAKTIONEN VON MOLYBDAEN(0)-CARBONYL-KOMPLEXEN MIT DEN MEHRZAEHNIGEN THIOETHER-THIOL-LIGANDEN 1,2-METHYLTHIOBENZOLTHIOL, 1,4,7-TRITHIAHEPTAN, 2,3,8,9-DIBENZO-1,4,7,10-TETRATHIADECAN SOWIE 1,2-BENZOLDITHIOL

During a study of the reactions of molybdenum(0) carbonyl complexes with multidentate organosulfur ligands, (NMe4)2 was obtained from and (NMe4)2(SC2H4SC2H4S); subsequent alkylation with 1,2-dibromoethane gave (TTCN=1,4,7-trithiacyclononane).TTCN, which up to now had been obtained only with difficulty, is liberated from by (NMe4)2(SC2H4SC2H4S) under regeneration of the starting complex (NMe4)2.TTCN and yield . and (NMe4)2(dttd), (dttd2-=2,3,8,9-dibenzo-1,4,7,10-tetrathiadecane(-2)), give (NMe4)22>, which reacts to form a Mo(CO)3 species under heating; further CO substitution is not observed.Treatment of with C6H4(SH)2 and CH3SC6H4SH, respectively, leads via redox reactions to the molybdenum(II) complexes and .Under normal conditions, these complexes show no substitution of PPh3 by C6H4S22- or CH3SC6H4S-; however, under thermally more vigorous conditions in refluxing methoxyethanol, and Na2(C6H4S2) yield IV(C6H4S2)3>2- in a redox reaction; the anion is isolated as (NMe4)2. and CH3SC6H4SH yield, at room temperature, the binuclear ; with Na/THF, it leads to -, with PPh3 to , and with CH3SC6H4S- to - as well as to -, which are isolated as NMe4+ salts.In (NMe4), apart from one CO, only sulfur is coordinated to the Mo center; its CO ligand shows an extremely low IR absorption at 1775 cm-1, indicating high electron density at the Mo center.Photochenmical substitution of CO by N2 was not possible either with this CO or with the other CO complexes.