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CAS No.: | 55970-05-3 |
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Name: | 2,3-Dimethyl-1H-benzo[e]indole |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C14H13N |
Molecular Weight: | 195.264 |
Synonyms: | 1,2-Dimethyl-3H-benz[e]indole; |
Density: | 1.074 g/cm3 |
Melting Point: | 118-121 °C |
Boiling Point: | 341.8 °C at 760 mmHg |
Flash Point: | 145.4 °C |
PSA: | 15.79000 |
LogP: | 3.62950 |
Conditions | Yield |
---|---|
With 4-methylbenzenesulfonic acid-based ionic liquid supported on silica gel In ethanol at 20℃; for 5h; Fischer Indole Synthesis; | 86% |
With acetic acid at 100℃; for 3h; Fischer Indole Synthesis; Inert atmosphere; |
Conditions | Yield |
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With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; methanesulfonic acid at 170℃; for 48h; Inert atmosphere; | 76% |
2-naphthylhydrazine hydrochloride
2,3-dimethylbenz<4,5>indole
Conditions | Yield |
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With ethanol; sodium acetate; butan-1-ol und Erwaermen der Reaktionsloesung mit konz.Schwefelsaeure; |
naphthalen-2-ylamine
2,3-dimethylbenz<4,5>indole
Conditions | Yield |
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Man kocht das Reaktionsprodukt mit sehr verduennter Salzsaeure aus und destilliert den Rueckstand unter vermindertem Druck; |
2,3-dimethylbenz<4,5>indole
Conditions | Yield |
---|---|
at 210℃; |
2,3-dimethylbenz<4,5>indole
Conditions | Yield |
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With zinc(II) chloride at 180℃; |
Conditions | Yield |
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Stage #1: 2-naphthylhydrazine hydrochloride With acetic acid for 0.5h; Stage #2: 2-Pentanone Reflux; |
Conditions | Yield |
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With palladium(II) trifluoroacetate; trifuran-2-yl-phosphane In water for 2h; Reflux; Inert atmosphere; Green chemistry; | 98% |
2,3-dimethylbenz<4,5>indole
Allyl acetate
Conditions | Yield |
---|---|
With platinum(II) 2,4-pentanedionate; tri(4-chlorophenyl)phosphine In water for 2h; Inert atmosphere; Reflux; regioselective reaction; | A 96% B 3% |
Conditions | Yield |
---|---|
Stage #1: 2,3-dimethylbenz<4,5>indole; 5-(cyano)dibenzothiophenium triflate In dichloromethane at 20℃; for 0.166667h; Inert atmosphere; Stage #2: styrene In dichloromethane at 20℃; for 11h; Inert atmosphere; | 89% |
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The 2,3-Dimethyl-1H-benzo[e]indole with its cas register number is 55970-05-3. It also can be called as 1,2-Dimethyl-3H-benz[e]indole and the Systematic name about this chemical is 2,3-dimethyl-2,3-dihydro-1H-benzo[e]indole. It belongs to the Indole.
Physical properties about 2,3-Dimethyl-1H-benzo[e]indole are: (1)ACD/LogP: 3.89; (2)ACD/LogD (pH 5.5): 3.28; (3)ACD/LogD (pH 7.4): 3.88; (4)ACD/BCF (pH 5.5): 131.96; (5)ACD/BCF (pH 7.4): 515.01; (6)ACD/KOC (pH 5.5): 770.28; (7)ACD/KOC (pH 7.4): 3006.19; (8)#H bond acceptors: 1; (10)Index of Refraction: 1.621; (11)Molar Refractivity: 64.64 cm3; (12)Molar Volume: 183.6 cm3; (13)Polarizability: 25.62x10-24cm3; (14)Surface Tension: 39.9 dyne/cm; (15)Enthalpy of Vaporization: 58.55 kJ/mol; (16)Vapour Pressure: 7.86E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC3Cc2c(ccc1ccccc12)N3C
(2)InChI: InChI=1/C14H15N/c1-10-9-13-12-6-4-3-5-11(12)7-8-14(13)15(10)2/h3-8,10H,9H2,1-2H3
(3)InChIKey: UAMHYXAJSDOMEY-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C14H15N/c1-10-9-13-12-6-4-3-5-11(12)7-8-14(13)15(10)2/h3-8,10H,9H2,1-2H3
(5)Std. InChIKey: UAMHYXAJSDOMEY-UHFFFAOYSA-N