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[ CAS No. 100077-38-1 ] {[proInfo.proName]}

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Chemical Structure| 100077-38-1
Chemical Structure| 100077-38-1
Structure of 100077-38-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 100077-38-1 ]

CAS No. :100077-38-1 MDL No. :N/A
Formula : C18H12S6 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 420.68 Pubchem ID :-
Synonyms :

Safety of [ 100077-38-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 100077-38-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 100077-38-1 ]

[ 100077-38-1 ] Synthesis Path-Downstream   1~12

  • 1
  • bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] [ No CAS ]
  • [ 100077-38-1 ]
  • [ 1442692-43-4 ]
YieldReaction ConditionsOperation in experiment
61% With triethylamine In dichloromethane at 20℃; for 3h; Inert atmosphere;
  • 2
  • carbonyl(pentamethylcyclopentadienyl)cobalt diiodide [ No CAS ]
  • [ 100077-38-1 ]
  • [ 1442692-39-8 ]
YieldReaction ConditionsOperation in experiment
28% With triethylamine In dichloromethane at 20℃; for 2h; Inert atmosphere;
  • 3
  • dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer [ No CAS ]
  • [ 100077-38-1 ]
  • [ 1442692-41-2 ]
YieldReaction ConditionsOperation in experiment
5.5% With triethylamine In dichloromethane at 20℃; for 2h; Inert atmosphere;
  • 4
  • 2,3,6,7,10,11-hexa(methylthio)triphenylene [ No CAS ]
  • [ 100077-38-1 ]
YieldReaction ConditionsOperation in experiment
91% With lithium In ammonia at -78℃; for 3.5h; Inert atmosphere; liquid NH3;
  • 5
  • cobalt(II) chloride hexahydrate [ No CAS ]
  • [ 100077-38-1 ]
  • [ 7732-18-5 ]
  • [ 67-64-1 ]
  • [Co3(triphenylene-2,3,6,7,10,11-hexathiolate)2][H3]*MeCOMe*1/2H2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
In 1-methyl-pyrrolidin-2-one; ethyl acetate for 0.75h; Inert atmosphere; Sealed tube; Sonication;
  • 6
  • [ 1586745-04-1 ]
  • [ 100077-38-1 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide In methanol at 90℃; for 6h; Inert atmosphere; Schlenk technique;
  • 7
  • hexasodium 2,3,6,7,10,11-triphenylenehexathiolate [ No CAS ]
  • [ 100077-38-1 ]
YieldReaction ConditionsOperation in experiment
82 mg With hydrogenchloride In water
  • 8
  • cobalt(II) chloride hexahydrate [ No CAS ]
  • [ 100077-38-1 ]
  • 2C18H6S6(6-)*3Co(3+) [ No CAS ]
YieldReaction ConditionsOperation in experiment
In 1-methyl-pyrrolidin-2-one; water
  • 9
  • [ 100077-38-1 ]
  • [ 6147-53-1 ]
  • 2C18H6S6(6-)*3Co(2+) [ No CAS ]
YieldReaction ConditionsOperation in experiment
62% With ammonium hydroxide In water at 65℃; for 24h; Inert atmosphere;
  • 10
  • [ 100077-38-1 ]
  • [ 6018-89-9 ]
  • 2C18H6S6(6-)*3Ni(2+) [ No CAS ]
YieldReaction ConditionsOperation in experiment
66% With ammonium hydroxide In water at 65℃; for 24h; Inert atmosphere;
  • 11
  • copper(II) hexafluoro-2,4-pentanedionate [ No CAS ]
  • [ 100077-38-1 ]
  • 2C18H6S6(6-)*3Cu(2+) [ No CAS ]
YieldReaction ConditionsOperation in experiment
72% With ammonium hydroxide In water at 65℃; for 24h; Inert atmosphere;
  • 12
  • 2,3,6,7,10,11-hexabenzylmercaptyltriphenylene [ No CAS ]
  • [ 100077-38-1 ]
YieldReaction ConditionsOperation in experiment
577 mg Stage #1: 2,3,6,7,10,11-hexabenzylmercaptyltriphenylene With ammonia; sodium at -78℃; for 4h; Inert atmosphere; Stage #2: With methanol at -78 - 20℃; for 2h; Inert atmosphere; Stage #3: With hydrogenchloride In methanol; water Inert atmosphere;
577 mg Stage #1: 2,3,6,7,10,11-hexabenzylmercaptyltriphenylene With ammonia; sodium at -78℃; for 4h; Inert atmosphere; Stage #2: With hydrogenchloride In water 1.5-1.6 Example 1.5. Synthesis of Sodium Triphenylenehexathiolate (4) To 50 mL of anhydrous liquid ammonia at -78 °C, 2,3,6,7,10,11- hexabenzylmercaptyltriphenylene (3, 1.05 g, 1.90 mmol) was added under nitrogen atmosphere. Then, solid sodium (1.90 g, 83 mmol) was added in 10 portions (sodium stored in oil was rinsed by hexane and cut before use). A blue-green color appeared as the sodium dissolved. The solution was stirred for 4 hours at -78 °C. Methanol (10 mL, degassed by bubbling nitrogen) was then added cautiously via a syringe to the flask until the blue color disappeared. The flask was warmed to room temperature over 2 hours. Subsequently, 100 mL of deionized water (degassed by bubbling nitrogen) was added and the aqueous layer was extracted with diethyl ether (3x100 mL). The aqueous layer was evaporated to about 50 mL (yellow color clear solution which was used in the following step immediately). Example 1.6. Synthesis of 2,3,6,7,10,11-Hexathiotriphenylene (HTTP, 5) The yellow solution (50 mL, from the previous step) was degassed by bubbling N2for 20 min. 10 mL of HC1 (5%, degassed by N2) was then added dropwise until yellow precipitate formed. The mixture was centrifuged at 8000 rpm/min for 10 min and the liquid was then decanted. The yellow solid was then washed by water (degassed with nitrogen, 3x100 mL) and acetone (degassed by nitrogen, 3x100 mL). The yellow precipitate was then dried under vacuum for 24 hours. 577 mg (1.37 mmol) of yellow product was collected in: 72% yield. The product was stored under vacuum. 1H NMR (DMSO- e, 600 MHz): SH8.70 (s, 6H), 5.87 (br, 6H, SH) ppm. MALDI-TOF MS: found 419.2, calculated: 419.02. IR: 2520 cm"1for S-H stretching. Elemental analysis calculated for HTTP: C, 51.40; H, 2.88; S, 45.46. Found: C, 51.37; H, 2.90; S, 45.46; FIG. 35 depicts 1H NMR of 2,3,6,7, 10,11-hexathiotriphenylene.
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