Product Name

  • Name

    1,1,2-Trimethyl-1H-benz[e]indole

  • EINECS 255-429-8
  • CAS No. 41532-84-7
  • Article Data12
  • CAS DataBase
  • Density 1.06 g/cm3
  • Solubility insoluble in water
  • Melting Point 111-117 °C
  • Formula C15H15N
  • Boiling Point 333.7 °C at 760 mmHg
  • Molecular Weight 209.291
  • Flash Point 147.7 °C
  • Transport Information
  • Appearance yellow to brown crystalline powder
  • Safety 26-36-53-45-37/39
  • Risk Codes 36/37/38-45
  • Molecular Structure Molecular Structure of 41532-84-7 (1,1,2-Trimethyl-1H-benz[e]indole)
  • Hazard Symbols IrritantXi, ToxicT
  • Synonyms 1,1,2-Trimethyl-1H-benzo[e]indole;1,1,2-Trimethylbenz[e]indole;
  • PSA 12.36000
  • LogP 3.65900

Synthetic route

3-methyl-butan-2-one
563-80-4

3-methyl-butan-2-one

1-naphthylhydrazine hydrochloride
2243-56-3

1-naphthylhydrazine hydrochloride

2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

Conditions
ConditionsYield
With acetic acid at 20℃; for 6.5h; Reflux;95%
3-methyl-butan-2-one
563-80-4

3-methyl-butan-2-one

2-hydrazinonaphthalene
2243-57-4

2-hydrazinonaphthalene

2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

Conditions
ConditionsYield
With benzene und Behandeln das entstandene β-Naphtylhydrazon mit wasserfreier Oxalsaeure in alkoh.Loesung;
With acetic acid 1.) 20 deg C, 0.5 h, 2.) reflux, 2 h; Multistep reaction;
methyl iodide
74-88-4

methyl iodide

2.3-dimethyl-4.5-benzo-indole

2.3-dimethyl-4.5-benzo-indole

2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

Conditions
ConditionsYield
at 100℃;
3-methyl-butan-2-one
563-80-4

3-methyl-butan-2-one

2-naphthylhydrazine hydrochloride
2243-58-5

2-naphthylhydrazine hydrochloride

2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

Conditions
ConditionsYield
With acetic acid at 100℃; for 24h; Fischer Indole Synthesis;
cyclosporin A

cyclosporin A

2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

Conditions
ConditionsYield
Stage #1: cyclosporin A With tetrabutylammonium acetate; butanone
Stage #2: In methanol
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

methyl iodide
74-88-4

methyl iodide

1,1,2,3-tetramethyl-1H-benz[e]indol-3-ium iodide
58464-25-8

1,1,2,3-tetramethyl-1H-benz[e]indol-3-ium iodide

Conditions
ConditionsYield
In acetonitrile at 110℃; for 48h; Inert atmosphere;100%
In methanol; acetonitrile at 50℃; for 2h;95%
at 20℃; for 24h;94%
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

6-bromohexanoic acid
4224-70-8

6-bromohexanoic acid

3-(5-carboxypentyl)-1,1,2-trimethyl-1H-benzo-[e]indol-3-ium bromide

3-(5-carboxypentyl)-1,1,2-trimethyl-1H-benzo-[e]indol-3-ium bromide

Conditions
ConditionsYield
With potassium iodide In acetonitrile Heating;100%
In nitromethane at 110℃; for 2h; Inert atmosphere; Microwave irradiation;95%
In nitromethane at 110℃; for 2h; Inert atmosphere; Microwave irradiation;95%
1,4-butane sultone
1633-83-6

1,4-butane sultone

2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

4-(1,1,2-trimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
63149-24-6

4-(1,1,2-trimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate

Conditions
ConditionsYield
at 120℃; for 2h;99%
In sulfolane at 120 - 130℃;92%
With 1,2-dichloro-benzene In diethyl ether at 120℃; for 18h; Inert atmosphere; Darkness;90%
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

6-bromohexanoic acid
4224-70-8

6-bromohexanoic acid

C21H27NO2

C21H27NO2

Conditions
ConditionsYield
In nitromethane Inert atmosphere; Reflux;98%
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

ethyl iodide
75-03-6

ethyl iodide

3-ethyl-1,2,2,-trimethyl-benz[e]-1[H]indolium iodide
80566-25-2

3-ethyl-1,2,2,-trimethyl-benz[e]-1[H]indolium iodide

Conditions
ConditionsYield
In nitromethane Inert atmosphere; Reflux;97%
In acetonitrile for 48h; Heating;91%
In acetonitrile91%
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

ethyl 5-bromovalerate
14660-52-7

ethyl 5-bromovalerate

3-(4-ethoxycarbonylbutyl)-1,1,2-trimethyl-1H-benzo[e]indolium bromide

3-(4-ethoxycarbonylbutyl)-1,1,2-trimethyl-1H-benzo[e]indolium bromide

Conditions
ConditionsYield
With potassium iodide In acetonitrile at 80℃; for 96h;97%
at 120℃; for 1h;26%
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

8-bromooctanoic acid
17696-11-6

8-bromooctanoic acid

C23H31NO2

C23H31NO2

Conditions
ConditionsYield
In nitromethane Inert atmosphere; Reflux;97%
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

9-bromononanoic acid
41059-02-3

9-bromononanoic acid

C24H33NO2

C24H33NO2

Conditions
ConditionsYield
In nitromethane Inert atmosphere; Reflux;97%
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

10-bromodecanoic acid
50530-12-6

10-bromodecanoic acid

C25H35NO2

C25H35NO2

Conditions
ConditionsYield
In nitromethane Inert atmosphere; Reflux;97%
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

methyl 4-(iodomethyl)benzoate
94224-92-7

methyl 4-(iodomethyl)benzoate

3-(4-methoxycarbonylbenzyl)-1,1,2-trimethyl-1H-benzo[e]indolium iodide

3-(4-methoxycarbonylbenzyl)-1,1,2-trimethyl-1H-benzo[e]indolium iodide

Conditions
ConditionsYield
In acetonitrile at 80 - 85℃; for 6h; Time;96.4%
1,3-propanesultone
1120-71-4

1,3-propanesultone

2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

3-(1,1,2-trimethyl-1H-benzo[e]indol-3-ium-3-yl)propane-1-sulfonate
63666-10-4

3-(1,1,2-trimethyl-1H-benzo[e]indol-3-ium-3-yl)propane-1-sulfonate

Conditions
ConditionsYield
In 1,2-dichloro-benzene at 155℃; for 1h; air-tight flask;96%
95%
94%
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

methyloxirane
75-56-9, 16033-71-9

methyloxirane

1-(2-hydroxypropyl)-2,3,3-trimethyl-3H-benzo[e]indolium perchlorate

1-(2-hydroxypropyl)-2,3,3-trimethyl-3H-benzo[e]indolium perchlorate

Conditions
ConditionsYield
Stage #1: 2,3,3-trimethylbenzo[e]indole; methyloxirane With hydrogen bromide In acetic acid at 100℃; for 1h;
Stage #2: With sodium perchlorate		96%
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

7-bromoheptanoic acid
30515-28-7

7-bromoheptanoic acid

C22H29NO2

C22H29NO2

Conditions
ConditionsYield
In nitromethane Inert atmosphere; Reflux;95%
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

(3-bromopropyl)amine
18370-81-5

(3-bromopropyl)amine

3-(3-aminopropyl)-1,1,2-trimethyl-1H-benz[e]indolium bromide
1036378-19-4

3-(3-aminopropyl)-1,1,2-trimethyl-1H-benz[e]indolium bromide

Conditions
ConditionsYield
In 1,2-dichloro-benzene at 110℃; for 0.5h;94%
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

1-Iodododecane
4292-19-7

1-Iodododecane

3-dodecyl-1,1,2-trimethyl-1H-benzo[e]indol-3-ium iodide
1570368-82-9

3-dodecyl-1,1,2-trimethyl-1H-benzo[e]indol-3-ium iodide

Conditions
ConditionsYield
for 18h; Heating;94%
In acetonitrile Inert atmosphere; Reflux;90%
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

amyl iodide
628-17-1

amyl iodide

1-pentyl-2,3,3-trimethylbenz[e]indolium iodide

1-pentyl-2,3,3-trimethylbenz[e]indolium iodide

Conditions
ConditionsYield
In nitromethane Inert atmosphere; Reflux;94%
at 145℃; for 0.166667h; Microwave irradiation;82%
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

3-bromopropylamine hydrochloride
5003-71-4

3-bromopropylamine hydrochloride

3-(3-Aminopropyl)-1,1,2-trimethylbenz(e)indolium bromide.HBr

3-(3-Aminopropyl)-1,1,2-trimethylbenz(e)indolium bromide.HBr

Conditions
ConditionsYield
at 140℃; for 10h;93%
at 140 - 150℃; for 20h;
1-iodo-butane
542-69-8

1-iodo-butane

2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

3-butyl-1,1,2-trimethyl-1H-benzo[e]indol-3-ium iodide
137107-72-3

3-butyl-1,1,2-trimethyl-1H-benzo[e]indol-3-ium iodide

Conditions
ConditionsYield
In nitromethane Inert atmosphere; Reflux;93%
In nitromethane at 20℃; for 12h;90%
In acetonitrile for 24h; Reflux;87%
1,2-oxathiane-2-oxide
24308-29-0

1,2-oxathiane-2-oxide

2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

4-(1,1,2-trimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
63149-24-6

4-(1,1,2-trimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate

Conditions
ConditionsYield
at 120℃; for 2h;93%
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

1-Iodohexane
638-45-9

1-Iodohexane

3-hexyl-1,1,2-trimethyl-1H-benzo[e]indol-3-ium iodide

3-hexyl-1,1,2-trimethyl-1H-benzo[e]indol-3-ium iodide

Conditions
ConditionsYield
In nitromethane Inert atmosphere; Reflux;93%
In butanone at 70℃; for 18h;
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

1-iodo-propane
107-08-4

1-iodo-propane

1-propyl-2,3,3-trimethylbenz[e]indolium iodide
1421009-71-3

1-propyl-2,3,3-trimethylbenz[e]indolium iodide

Conditions
ConditionsYield
In toluene Inert atmosphere; Reflux;93%
at 140℃; for 0.166667h; Microwave irradiation;83%
Reflux;
3-Bromopropionic acid
590-92-1

3-Bromopropionic acid

2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

3-(2-carboxyethyl)-1,1,2-trimethyl-1H-benzo[e]indole iodide salt
6761-95-1

3-(2-carboxyethyl)-1,1,2-trimethyl-1H-benzo[e]indole iodide salt

Conditions
ConditionsYield
With potassium iodide In 1,2-dichloro-benzene at 110℃; for 16h;92.5%
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

6-bromo-hexanoic acid ethyl ester
25542-62-5

6-bromo-hexanoic acid ethyl ester

3-(5-ethoxycarbonylpentyl)-1,1,2-trimethyl-1H-benz[e]indolenium bromide
190714-35-3

3-(5-ethoxycarbonylpentyl)-1,1,2-trimethyl-1H-benz[e]indolenium bromide

Conditions
ConditionsYield
With potassium iodide In acetonitrile at 80℃; for 96h;92%
at 120℃; for 2h;63%
In 1,2-dichloro-benzene
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

bromobutyric acid
2623-87-2

bromobutyric acid

C19H23NO2

C19H23NO2

Conditions
ConditionsYield
In toluene Inert atmosphere; Reflux;92%
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

1-Iodoheptane
4282-40-0

1-Iodoheptane

C22H30N(1+)*I(1-)

C22H30N(1+)*I(1-)

Conditions
ConditionsYield
In nitromethane Inert atmosphere; Reflux;92%
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

3-hydroxy-3-methyl-1-cyano-1-butyne
32837-87-9

3-hydroxy-3-methyl-1-cyano-1-butyne

(Z)-2-[9,9,10a,11,11-pentamethyl-10a,11-dihydrobenzo[e]oxazolo[3,2-a]indol-8(9H)-ylidene]acetonitrile

(Z)-2-[9,9,10a,11,11-pentamethyl-10a,11-dihydrobenzo[e]oxazolo[3,2-a]indol-8(9H)-ylidene]acetonitrile

Conditions
ConditionsYield
at 20 - 25℃; for 36h; regioselective reaction;92%
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

N,N-dimethyl-formamide
68-12-2, 33513-42-7

N,N-dimethyl-formamide

2-(1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)malonaldehyde

2-(1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)malonaldehyde

Conditions
ConditionsYield
Stage #1: 2,3,3-trimethylbenzo[e]indole; N,N-dimethyl-formamide With trichlorophosphate for 1h; Cooling with ice;
Stage #2: for 3h; Reflux;		91%
Stage #1: 2,3,3-trimethylbenzo[e]indole; N,N-dimethyl-formamide With trichlorophosphate at 95℃; for 9h;
Stage #2: With sodium hydroxide
2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

2-(4-bromobutyl)isoindoline-1,3-dione
5394-18-3

2-(4-bromobutyl)isoindoline-1,3-dione

3-[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-butyl]-1,1,2-trimethyl-1H-benzo[e]indolium; bromide

3-[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-butyl]-1,1,2-trimethyl-1H-benzo[e]indolium; bromide

Conditions
ConditionsYield
at 140℃; sealed tube;90%
at 140℃; for 10h;
3-Bromopropionic acid
590-92-1

3-Bromopropionic acid

2,3,3-trimethylbenzo[e]indole
41532-84-7

2,3,3-trimethylbenzo[e]indole

1-(2-hydroxycarbonylethyl)-2,3,3-trimethylbenzo[e]indoleninium bromide

1-(2-hydroxycarbonylethyl)-2,3,3-trimethylbenzo[e]indoleninium bromide

Conditions
ConditionsYield
In 1,2-dichloro-benzene at 100℃; for 20h;90%
In 1,2-dichloro-ethane at 100℃; for 20h;90%
In 1,2-dichloro-benzene at 110℃; for 18h;88%

1,1,2-Trimethyl-1H-benz[e]indole Chemical Properties

MF: C15H15N
MW: 209.29
EINECS: 255-429-8
mp:111-117 °C
density:0.7 
solubility: insoluble (20°C)
WATER Solubility:insoluble (20 oC)
BRN:153709
The chemical synonyms of 1,1,2-Trimethyl-1H-benz[e]indole are 1,1,2-trimethyl-1h-benz[e]indol;1,1,2-TRIMETHYL-1H-BENZ[E]INDOLE;1,1,2-TRIMETHYL-1H-BENZO[E]INDOLE;1,1,2-TRIMETHYLBENZ[E]INDOLE;1,1,2-TRIMETHYLBENZO[E]INDOLE;1,1,2-TRIMETHYLNAPHTHO[1,2-D]PYRROLE;1H-BENZO[E]INDOLE, 1,1,2-TRIMETHYL-;2,3,3-TRIMETHYL-3H-BENZ[E]INDOL
The molecular structure of 1,1,2-Trimethyl-1H-benz[e]indole:

1,1,2-Trimethyl-1H-benz[e]indole Uses

1,1,2-Trimethyl-1H-benz[e]INDOLE is used as dye, pharmaceutical intermediates

1,1,2-Trimethyl-1H-benz[e]indole Toxicity Data With Reference

RTECS#: CAS# 41532-84-7: None listed
LD50/LC50: RTECS: Not available. Other: oral rat LD50 > 2000 mg/kg 
Carcinogenicity: 1,1,2-Trimethyl-1H-benz[e]indole - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
Other: The toxicological properties have not been fully investigated.

1,1,2-Trimethyl-1H-benz[e]indole Safety Profile

Risk Statements : 36/37/38-45
Safety Statements: 26-36-53-45-37/39
Hazard Codes : Xi,T
WGK Germany: 3

1,1,2-Trimethyl-1H-benz[e]indole Specification

Chemical Stability: Stable under normal temperatures and pressures. 
Conditions to Avoid: Incompatible materials, prolonged exposure to air, direct sunlight.. 
Incompatibilities with Other Materials Strong oxidizing agents. 
Hazardous Decomposition Products Carbon monoxide, carbon dioxide. 
Hazardous Polymerization Will not occur.

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