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Basic Information

Molecular Structure:
CAS No.:	41340-36-7
Name:	7-Ethyl tryptophol
Article Data:	12

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

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

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

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%

...Expand

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

: 41340-36-7
7-ethyl-2-(1H-indol-3-yl)ethan-1-ol

Conditions

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

Conditions	Yield
With sulfuric acid In water at 130℃; for 0.0833333h; Solvent; Fischer Indole Synthesis; Microwave irradiation;	A 78% B 10%

...Expand

: 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

Conditions	Yield
With sulfuric acid In tetrahydrofuran; water at 130℃; for 0.0833333h; Fischer Indole Synthesis; Microwave irradiation;	A 78% B 6% C 7%

...Expand

: 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

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

Conditions	Yield
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

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

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

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

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;

...Expand

Raw Materials

Downstream Products

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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.