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Cas Database

Name	2,3-Dimethyl-1H-benzo[e]indole	EINECS	N/A
CAS No.	55970-05-3	Density	1.074 g/cm³
PSA	15.79000	LogP	3.62950
Solubility	N/A	Melting Point	118-121 °C
Formula	C₁₄H₁₃N	Boiling Point	341.8 °C at 760 mmHg
Molecular Weight	195.264	Flash Point	145.4 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	1,2-Dimethyl-3H-benz[e]indole;	Article Data	8

2,3-Dimethyl-1H-benzo[e]indole Synthetic route

: 2243-58-5
2-naphthylhydrazine hydrochloride

: 78-93-3
butanone

: 55970-05-3
2,3-dimethylbenz<4,5>indole

Conditions

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;

: 91-59-8
naphthalen-2-ylamine

: 513-85-9
2.3-butanediol

: 55970-05-3
2,3-dimethylbenz<4,5>indole

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
at 210℃;

methylethyl ketone-β-naphthylhydrazone: methylethyl ketone-β-naphthylhydrazone

: 55970-05-3
2,3-dimethylbenz<4,5>indole

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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%

: 100-42-5
styrene

: 55970-05-3
2,3-dimethylbenz<4,5>indole

: 5-(cyano)dibenzothiophenium triflate

: C23H20N2

Conditions

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%

2,3-Dimethyl-1H-benzo[e]indole 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

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