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CAS No.: | 134127-48-3 |
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Name: | 1H-BENZ[E]INDOLIUM, 2-[2-[2-CHLORO-3-[(1,3-DIHYDRO-1,1,3-TRIMETHYL-2H-BENZ[E]INDOL-2-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-1,1,3-TRIMETHYL-, SALT WITH 4-METHYLBENZENESULFONIC ACID (1:1) |
Molecular Structure: | |
Formula: | C40 H40 Cl N2 |
Molecular Weight: | 755.421 |
Synonyms: | 1H-Benz[e]indolium,2-[2-[2-chloro-3-[(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-,salt with 4-methylbenzenesulfonic acid (1:1) (9CI); ADS 830A; ADS 830AT;Adagio; EC 2117; KF 1151; PINA-KF 1151; S 0094; SDB 7047; ST 798; Trump Dye;Trump IR; Trump IR dye |
EINECS: | N/A |
Solubility: | 30μg/L at 20℃ |
Appearance: | A red crystalline powde |
PSA: | 71.83000 |
LogP: | 12.47360 |
C16H18N(1+)*C7H7O3S(1-)
N-[(3-(anilinomethylene)-2-chloro-1-cyclohexen-1-yl)methylene]aniline hydrochloride
2-[2-[2-chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benzo[e]-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1H-benzo[e]indolium p-toluenesulfonate
Conditions | Yield |
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With sodium acetate In ethanol for 1h; Reflux; | 82% |
2-[2-[2-chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benzo[e]-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1H-benzo[e]indolium p-toluenesulfonate
Conditions | Yield |
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Multi-step reaction with 2 steps 1: hydrogenchloride / isopropyl alcohol / 0.17 h / 20 °C 2: triethylamine / N,N-dimethyl-formamide / 20 h / 0 °C / Inert atmosphere; Darkness View Scheme |
2-[2-[2-chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benzo[e]-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1H-benzo[e]indolium p-toluenesulfonate
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: hydrogenchloride / isopropyl alcohol / 0.17 h / 20 °C 2: triethylamine / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere; Darkness 3: dicyclohexyl-carbodiimide / dichloromethane / 12 h / Darkness View Scheme |
2-[2-[2-chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benzo[e]-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1H-benzo[e]indolium p-toluenesulfonate
Conditions | Yield |
---|---|
With hydrogenchloride In isopropyl alcohol at 20℃; for 0.166667h; |
2-[2-[2-chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benzo[e]-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1H-benzo[e]indolium p-toluenesulfonate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: hydrogenchloride / isopropyl alcohol / 0.17 h / 20 °C 2: triethylamine / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere; Darkness View Scheme |
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Molecular Structure of 2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1H-benz[e]indolium salt with 4-methylbenzenesulfonate (1:1) (CAS NO.134127-48-3):
Molecular Formula C40H40ClN2.C7H7O3S
Molecular Weight 755.41
2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1H-benz[e]indolium salt with 4-methylbenzenesulfonate (1:1) ,its cas register number is 134127-48-3. It is a red crystalline powder .