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Basic Information
| CAS No.: | 41532-84-7 |
|---|---|
| Name: | 1,1,2-Trimethyl-1H-benz[e]indole |
| Molecular Structure: | |
|
|
|
| Formula: | C15H15N |
| Molecular Weight: | 209.291 |
| Synonyms: | 1,1,2-Trimethyl-1H-benzo[e]indole;1,1,2-Trimethylbenz[e]indole; |
| EINECS: | 255-429-8 |
| Density: | 1.06 g/cm3 |
| Melting Point: | 111-117 °C |
| Boiling Point: | 333.7 °C at 760 mmHg |
| Flash Point: | 147.7 °C |
| Solubility: | insoluble in water |
| Appearance: | yellow to brown crystalline powder |
| Hazard Symbols: |
 Xi,  T
|
| Risk Codes: | 36/37/38-45 |
| Safety: | 26-36-53-45-37/39 |
| PSA: | 12.36000 |
| LogP: | 3.65900 |
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Synthetic route
- 563-80-4
3-methyl-butan-2-one
- 2243-56-3
1-naphthylhydrazine hydrochloride
- 41532-84-7
2,3,3-trimethylbenzo[e]indole
Conditions
| Conditions | Yield |
|---|---|
| With acetic acid at 20℃; for 6.5h; Reflux; | 95% |
Conditions
| Conditions | Yield |
|---|---|
| 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; |
- 74-88-4
methyl iodide
- 41532-84-7
2,3,3-trimethylbenzo[e]indole
Conditions
| Conditions | Yield |
|---|---|
| at 100℃; |
- 563-80-4
3-methyl-butan-2-one
- 2243-58-5
2-naphthylhydrazine hydrochloride
- 41532-84-7
2,3,3-trimethylbenzo[e]indole
Conditions
| Conditions | Yield |
|---|---|
| With acetic acid at 100℃; for 24h; Fischer Indole Synthesis; |
- 41532-84-7
2,3,3-trimethylbenzo[e]indole
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: cyclosporin A With tetrabutylammonium acetate; butanone Stage #2: In methanol |
- 41532-84-7
2,3,3-trimethylbenzo[e]indole
- 74-88-4
methyl iodide
- 58464-25-8
1,1,2,3-tetramethyl-1H-benz[e]indol-3-ium iodide
Conditions
| Conditions | Yield |
|---|---|
| In acetonitrile at 110℃; for 48h; Inert atmosphere; | 100% |
| In methanol; acetonitrile at 50℃; for 2h; | 95% |
| at 20℃; for 24h; | 94% |
- 41532-84-7
2,3,3-trimethylbenzo[e]indole
- 4224-70-8
6-bromohexanoic acid
Conditions
| Conditions | Yield |
|---|---|
| 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% |
- 1633-83-6
1,4-butane sultone
- 41532-84-7
2,3,3-trimethylbenzo[e]indole
- 63149-24-6
4-(1,1,2-trimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
Conditions
| Conditions | Yield |
|---|---|
| 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% |
Conditions
| Conditions | Yield |
|---|---|
| In nitromethane Inert atmosphere; Reflux; | 98% |
- 41532-84-7
2,3,3-trimethylbenzo[e]indole
- 75-03-6
ethyl iodide
- 80566-25-2
3-ethyl-1,2,2,-trimethyl-benz[e]-1[H]indolium iodide
Conditions
| Conditions | Yield |
|---|---|
| In nitromethane Inert atmosphere; Reflux; | 97% |
| In acetonitrile for 48h; Heating; | 91% |
| In acetonitrile | 91% |
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1,1,2-Trimethyl-1H-benz[e]indole
Chemistry
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:
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:
Uses
1,1,2-Trimethyl-1H-benz[e]INDOLE is used as dye, pharmaceutical intermediates
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.
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.
Safety Profile
Risk Statements : 36/37/38-45
Safety Statements: 26-36-53-45-37/39
Hazard Codes : Xi,T
WGK Germany: 3
Safety Statements: 26-36-53-45-37/39
Hazard Codes : Xi,T
WGK Germany: 3
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.
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.