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134127-48-3

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Basic Information
CAS No.: 134127-48-3
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:
Molecular Structure of 134127-48-3 (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))
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
Related products
Synthetic route
141914-99-0

C16H18N(1+)*C7H7O3S(1-)

63857-00-1, 70446-42-3

N-[(3-(anilinomethylene)-2-chloro-1-cyclohexen-1-yl)methylene]aniline hydrochloride

134127-48-3

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
ConditionsYield
With sodium acetate In ethanol for 1h; Reflux;82%
134127-48-3

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

C46H46N3S(1+)*Cl(1-)

Conditions
ConditionsYield
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
134127-48-3

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

C47H48N3O4S(1+)*Cl(1-)

Conditions
ConditionsYield
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
134127-48-3

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

C40H40ClN2(1+)*Cl(1-)

Conditions
ConditionsYield
With hydrogenchloride In isopropyl alcohol at 20℃; for 0.166667h;
134127-48-3

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

C43H45N2O2S(1+)*Cl(1-)

Conditions
ConditionsYield
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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Chemistry

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

Specification

  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 .