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7-Ethyltryptophol

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Name

7-Ethyltryptophol

EINECS 431-020-1
CAS No. 41340-36-7 Density 1.147 g/cm3
PSA 32.59000 LogP 1.66530
Solubility N/A Melting Point 44-45oC
Formula C12H15NO Boiling Point 377.814 °C at 760 mmHg
Molecular Weight 189.257 Flash Point 182.296 °C
Transport Information N/A Appearance N/A
Safety 2-36/37/39-61 Risk Codes 22-48/22-51/53
Molecular Structure Molecular Structure of 41340-36-7 (7-Ethyl tryptophol) Hazard Symbols DangerousN,HarmfulXn
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;

Article Data 12

7-Ethyltryptophol Synthetic route

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
ConditionsYield
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
ConditionsYield
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%

ethyl (3-hydroxy-7-ethyl-2-oxindol-3-yl)-acetate

41340-36-7

7-ethyl-2-(1H-indol-3-yl)ethan-1-ol

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
In ethanol for 12h; Heating;43%

1,8-diethyl-1-methyl-1,3,4,9-tetrahydropyrano-<3,4-b>indole

41340-36-7

7-ethyl-2-(1H-indol-3-yl)ethan-1-ol

Conditions
ConditionsYield
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
ConditionsYield
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

B

7-ethyl-2-(1-methyl-1-propenyl)-1H-indole-3-ethanol

C

7-ethyl-2-(1-methylenepropyl)-1H-indole-3-ethanol

D

1,8-diethyl-1-methyl-1,3,4,9-tetrahydropyrano-<3,4-b>indole

Conditions
ConditionsYield
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;

7-Ethyltryptophol 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.

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