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55970-05-3

Basic Information
CAS No.: 55970-05-3
Name: 2,3-Dimethyl-1H-benzo[e]indole
Article Data: 8
Molecular Structure:
Molecular Structure of 55970-05-3 (2,3-Dimethyl-1H-benzo[e]indole)
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
Synthetic route
2243-58-5

2-naphthylhydrazine hydrochloride

78-93-3

butanone

55970-05-3

2,3-dimethylbenz<4,5>indole

Conditions
ConditionsYield
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;
91-59-8

naphthalen-2-ylamine

513-85-9

2.3-butanediol

55970-05-3

2,3-dimethylbenz<4,5>indole

Conditions
ConditionsYield
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; methanesulfonic acid at 170℃; for 48h; Inert atmosphere;76%
2243-58-5

2-naphthylhydrazine hydrochloride

55970-05-3

2,3-dimethylbenz<4,5>indole

Conditions
ConditionsYield
With ethanol; sodium acetate; butan-1-ol und Erwaermen der Reaktionsloesung mit konz.Schwefelsaeure;
91-59-8

naphthalen-2-ylamine

β-bromo-levulinic acid

β-bromo-levulinic acid

55970-05-3

2,3-dimethylbenz<4,5>indole

Conditions
ConditionsYield
Man kocht das Reaktionsprodukt mit sehr verduennter Salzsaeure aus und destilliert den Rueckstand unter vermindertem Druck;
<2-methyl-4.5-benzo-indolyl-(3)>-acetic acid

<2-methyl-4.5-benzo-indolyl-(3)>-acetic acid

55970-05-3

2,3-dimethylbenz<4,5>indole

Conditions
ConditionsYield
at 210℃;
methylethyl ketone-β-naphthylhydrazone

methylethyl ketone-β-naphthylhydrazone

55970-05-3

2,3-dimethylbenz<4,5>indole

Conditions
ConditionsYield
With zinc(II) chloride at 180℃;
2243-58-5

2-naphthylhydrazine hydrochloride

107-87-9

2-Pentanone

55970-05-3

2,3-dimethylbenz<4,5>indole

Conditions
ConditionsYield
Stage #1: 2-naphthylhydrazine hydrochloride With acetic acid for 0.5h;
Stage #2: 2-Pentanone Reflux;
55970-05-3

2,3-dimethylbenz<4,5>indole

591-87-7

Allyl acetate

3-allyl-1,2-dimethyl-3H-benzo[e]indole

Conditions
ConditionsYield
With palladium(II) trifluoroacetate; trifuran-2-yl-phosphane In water for 2h; Reflux; Inert atmosphere; Green chemistry;98%
55970-05-3

2,3-dimethylbenz<4,5>indole

591-87-7

Allyl acetate

A

3-allyl-1,2-dimethyl-3H-benzo[e]indole

B

1-allyl-1,2-dimethyl-1H-benzo[e]indole

Conditions
ConditionsYield
With platinum(II) 2,4-pentanedionate; tri(4-chlorophenyl)phosphine In water for 2h; Inert atmosphere; Reflux; regioselective reaction;A 96%
B 3%
100-42-5

styrene

55970-05-3

2,3-dimethylbenz<4,5>indole

5-(cyano)dibenzothiophenium triflate

C23H20N2

Conditions
ConditionsYield
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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Specification

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