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| CAS No.: | 41340-36-7 |
|---|---|
| Name: | 7-Ethyl tryptophol |
| Molecular Structure: | |
|
|
|
| Formula: | C12H15NO |
| Molecular Weight: | 189.257 |
| Synonyms: | 2-(7-Ethyl-1H-indol-3-yl)-ethanol;3-(2-Hydroxyethyl)-7-ethylindole;7-Ethyl-1H-indole-3-ethanol;7-Ethyl-3-indoleethanol;RAK 801; |
| EINECS: | 431-020-1 |
| Density: | 1.147 g/cm3 |
| Melting Point: | 44-45oC |
| Boiling Point: | 377.814 °C at 760 mmHg |
| Flash Point: | 182.296 °C |
| Hazard Symbols: |
 N, Xn
|
| Risk Codes: | 22-48/22-51/53 |
| Safety: | 2-36/37/39-61 |
| PSA: | 32.59000 |
| LogP: | 1.66530 |
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- 1191-99-7
2,3-dihydro-2H-furan
- 19398-06-2, 58711-02-7
2-ethylphenylhydrazine hydrochloride
- 41340-36-7
7-ethyl-2-(1H-indol-3-yl)ethan-1-ol
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In water at 130℃; for 0.833333h; Reagent/catalyst; Solvent; Concentration; Fischer Indole Synthesis; Microwave irradiation; | 85% |
| With sulfuric acid In N,N-dimethyl acetamide; water at 80℃; Reagent/catalyst; Solvent; | 69% |
| Stage #1: 2,3-dihydro-2H-furan; 2-ethylphenylhydrazine hydrochloride With hydrogenchloride; sodium hydroxide In water; ethylene glycol at 115℃; for 0.00666667h; Fischer Indole Synthesis; Flow reactor; Stage #2: With sulfuric acid at 115℃; for 0.0616667h; Concentration; Temperature; Time; Pressure; Fischer Indole Synthesis; Flow reactor; | 50% |
- 1191-99-7
2,3-dihydro-2H-furan
- 19398-06-2, 58711-02-7
2-ethylphenylhydrazine hydrochloride
A
- 41340-36-7
7-ethyl-2-(1H-indol-3-yl)ethan-1-ol
B
- 1226954-31-9
C12H18N2O
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In water at 130℃; for 0.25h; Solvent; Reagent/catalyst; Concentration; Fischer Indole Synthesis; Microwave irradiation; | A 84% B 6% |
| With sulfuric acid In tert-butyl methyl ether; water at 150℃; for 0.0166667h; Solvent; Reagent/catalyst; Fischer Indole Synthesis; Microwave irradiation; | A 25% B 56% |
- 41340-36-7
7-ethyl-2-(1H-indol-3-yl)ethan-1-ol
| Conditions | Yield |
|---|---|
| With borane-THF In tetrahydrofuran at 20℃; | 78% |
- 1191-99-7
2,3-dihydro-2H-furan
- 19398-06-2, 58711-02-7
2-ethylphenylhydrazine hydrochloride
A
- 41340-36-7
7-ethyl-2-(1H-indol-3-yl)ethan-1-ol
B
- 1268685-97-7
C28H36N2O3
| Conditions | Yield |
|---|---|
| With sulfuric acid In water at 130℃; for 0.0833333h; Solvent; Fischer Indole Synthesis; Microwave irradiation; | A 78% B 10% |
- 1191-99-7
2,3-dihydro-2H-furan
- 19398-06-2, 58711-02-7
2-ethylphenylhydrazine hydrochloride
A
- 41340-36-7
7-ethyl-2-(1H-indol-3-yl)ethan-1-ol
B
- 1268685-97-7
C28H36N2O3
C
- 1226954-31-9
C12H18N2O
| Conditions | Yield |
|---|---|
| With sulfuric acid In tetrahydrofuran; water at 130℃; for 0.0833333h; Fischer Indole Synthesis; Microwave irradiation; | A 78% B 6% C 7% |
- 25714-71-0
4-hydroxybutyraldehyde
- 19398-06-2, 58711-02-7
2-ethylphenylhydrazine hydrochloride
- 41340-36-7
7-ethyl-2-(1H-indol-3-yl)ethan-1-ol
| Conditions | Yield |
|---|---|
| With ethylene glycol In water Microwave irradiation; | 78% |
| Stage #1: 4-hydroxybutyraldehyde; 2-ethylphenylhydrazine hydrochloride In water; ethylene glycol at 115℃; for 0.00555556h; Stage #2: With sulfuric acid In water; ethylene glycol for 0.0666667h; |
- 13436-46-9
2-ethoxytetrahydrofuran
- 19398-06-2, 58711-02-7
2-ethylphenylhydrazine hydrochloride
- 41340-36-7
7-ethyl-2-(1H-indol-3-yl)ethan-1-ol
| Conditions | Yield |
|---|---|
| In ethanol for 12h; Heating; | 43% |
- 41340-36-7
7-ethyl-2-(1H-indol-3-yl)ethan-1-ol
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol; water at 85℃; Product distribution; Rate constant; Thermodynamic data; Ea, ΔS<*>, mechanism of etodolac degradation in aqueous solutionsat various temperatures (75-905 deg C), time and pH, effect of pH and temperature, catalytic effect of buffer system; |
- 114737-75-6
2,3-dihydro-7-ethyl-1H-indole-3-ethanol
A
- 41340-36-7
7-ethyl-2-(1H-indol-3-yl)ethan-1-ol
B
- 114720-06-8
7-ethyl-5-hydroxytryptophol
| Conditions | Yield |
|---|---|
| With potassiuim nitrosodisulfonate 1.) pH 7 buffer, Me2CO, 10 min, 2.) room temperature, overnight; Yield given. Multistep reaction; |
- 41340-25-4
etodolac
A
- 41340-36-7
7-ethyl-2-(1H-indol-3-yl)ethan-1-ol
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol; water at 85℃; for 18h; Product distribution; Rate constant; Thermodynamic data; Ea, ΔS<*>, mechanism of etodolac degradation in aqueous solutionsat various temperatures (75-905 deg C), time and pH, effect of pH and temperature, catalytic effect of buffer system; |
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Specification
The 7-Ethyltryptophol, with the CAS registry number 41340-36-7, is also known as 7-Ethyl-3-indoleethanol. It belongs to the classification code of Drug / Therapeutic Agent. This chemical's molecular formula is C12H15NO and molecular weight is 189.25. What's more, both its IUPAC name and systematic name are the same which is called 2-(7-Ethyl-1H-indol-3-yl)ethanol.
Physical properties about 7-Ethyltryptophol are: (1)ACD/LogP: 2.004; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.00; (4)ACD/LogD (pH 7.4): 2.00; (5)ACD/BCF (pH 5.5): 19.62; (6)ACD/BCF (pH 7.4): 19.62; (7)ACD/KOC (pH 5.5): 293.05; (8)ACD/KOC (pH 7.4): 293.05; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 36.02 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 59.162 cm3; (15)Molar Volume: 165.012 cm3; (16)Polarizability: 23.454×10-24cm3; (17)Surface Tension: 50.845 dyne/cm; (18)Density: 1.147 g/cm3; (19)Flash Point: 182.296 °C; (20)Enthalpy of Vaporization: 65.997 kJ/mol; (21)Boiling Point: 377.814 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and may present an immediate or delayed danger to one or more components of the environment. It has serious damage to health by prolonged exposure if swallowed. In addition, this chemical \is toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And you must keep out of the reach of children and avoid releasing to the environment.
You can still convert the following datas into molecular structure:
(1) SMILES: OCCc2c1cccc(c1nc2)CC
(2) InChI: InChI=1S/C12H15NO/c1-2-9-4-3-5-11-10(6-7-14)8-13-12(9)11/h3-5,8,13-14H,2,6-7H2,1H3
(3) InChIKey: UVSDNCAZVSQJQA-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 391mg/kg (391mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Oyo Yakuri. Pharmacometrics. Vol. 40, Pg. 737, 1990. |