7-Ethyltryptophol supplier | CasNO.41340-36-7

Name
7-Ethyl tryptophol
EINECS 431-020-1
CAS No. 41340-36-7
Article Data12
CAS DataBase
Density 1.147 g/cm³
Solubility
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
Appearance
Safety 2-36/37/39-61
Risk Codes 22-48/22-51/53
Molecular Structure
Hazard Symbols N,Xn
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;
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

: 79183-65-6
7-ethylisatin

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 78 percent / pyridine; acetic acid / ethanol / Heating 2: 78 percent / BH3*THF / tetrahydrofuran / 20 °C View Scheme

: 1421708-58-8
C12H15NO

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

B: 526-55-6
2-(3-indole)-ethanol

C: 41340-32-3
4-ethyltryptophol

Conditions

Conditions	Yield
With hydrogenchloride In methanol; water at 150℃; for 0.166667h;

...Expand

: 25714-71-0
4-hydroxybutyraldehyde

: 19398-06-2, 58711-02-7
2-ethylphenylhydrazine hydrochloride

: 107-21-1
ethylene glycol

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

B: 7-ethyltryptophol

C: C12H14N2O

Conditions

Conditions	Yield
In water at 115℃; for 0.566667h; Inert atmosphere;

...Expand

: 1226954-31-9
C12H18N2O

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

B: 7-ethyltryptophol

C: C12H14N2O

Conditions

Conditions	Yield
With sulfuric acid In water

...Expand

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

: 30414-53-0
methyl propanoyl acetate

: methyl 1,8-diethyl-1,3,4,9-tetrahydropyrano(3,4-b)-indole-1-acetate

Conditions

Conditions	Yield
With chloro-trimethyl-silane In methanol at 20℃; for 22h; Reagent/catalyst; Temperature;	99.9%
With sulfuric acid In methanol at 0 - 30℃; Reagent/catalyst; Pictet-Spengler Synthesis;	98%

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

: (E)-(3,3-dimethoxypent-1-en-1-yl)benzene

: (R, E)-1,8-diethyl-1-styryl-1,3,4,9-tetrahydropyrano[3,4-b]indole

Conditions

Conditions	Yield
With 2,3,4,5-tetrabromo-6-(((1R,2R)-2-(3-(3,4-dinitrophenyl)thioureido)cyclohexyl)carbamoyl)benzoic acid In toluene at -30℃; for 24h; Pictet-Spengler Synthesis; Molecular sieve; Inert atmosphere; enantioselective reaction;	96%

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

: 8-(phenylethynyl)-1-naphthaldehyde

: C31H27NO2

Conditions

Conditions	Yield
With C27H38AuN2(1+)*C2F6NO4S2(1-) In 1,2-dichloro-ethane at 20℃; for 0.5h; Inert atmosphere; Schlenk technique; regioselective reaction;	95%

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

: 1830-54-2
3-oxopentanedioic acid dimethyl ester

: 200880-24-6
(8-ethyl-1-methoxycarbonylmethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid methyl ester

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 5h; Heating;	82%

: 930-22-3
epoxybutene

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

: 1616561-97-7
2-(2-(7-ethyl-1H-indol-3-yl)ethoxy)but-3-en-1-ol

Conditions

Conditions	Yield
With bis(η3-allyl-μ-chloropalladium(II)); triethyl borane; triphenylphosphine In tetrahydrofuran; dichloromethane at 0 - 20℃; for 2h; Inert atmosphere;	80%

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

: 1125-88-8
benzaldehyde dimethyl acetal

A: 8-ethyl-1-phenyl-1,3,4,9-tetrahydropyrano[3,4-b]indole

B: 100-52-7
benzaldehyde

Conditions

Conditions	Yield
With camphor-10-sulfonic acid In chloroform for 16h; Reagent/catalyst; Solvent; Pictet-Spengler Synthesis; Schlenk technique; Inert atmosphere;	A 77% B 19 %Spectr.

...Expand

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

: 96-32-2
bromoacetic acid methyl ester

: C15H19NO3

Conditions

Conditions	Yield
With disodium hydrogenphosphate; [4,4′-di-tert-butyl-2,2′-bipyridine]bis[5-methyl-2-(4-methyl-2pyridinyl)phenyl]iridium(III) hexafluorophosphate In 1,2-dichloro-ethane at 20℃; for 20h; Inert atmosphere; Irradiation; regioselective reaction;	75%

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

: N-methoxy-N-(phenylsulfonyl)benzenesulfonamide

: N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N-methoxybenzenesulfonamide

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile at 20℃; for 12h;	71%

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

: 4949-44-4
ethyl propanoylacetate

: 200880-23-5
(RS)-etodolac ethyl ester

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 5h; Heating;	67%

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

: 351339-82-7
(Z)-3-Methoxy-pent-2-enoic acid (1R,2R,3R,5S)-2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl ester

A: ((R)-1,8-Diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid (1R,2R,3R,5S)-2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl ester

B: 351339-83-8
((S)-1,8-Diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid (1R,2R,3R,5S)-2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl ester

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane for 2h;	A n/a B 60%

...Expand

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

: 6567-42-6
4-chloro-3,3-dimethoxy-butylic acid ethyl ester

: 591752-24-8
(1-chloromethyl-8-ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid ethyl ester

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In 1,2-dichloro-ethane	58.6%

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

: 114737-75-6
2,3-dihydro-7-ethyl-1H-indole-3-ethanol

Conditions

Conditions	Yield
With sodium tetrahydroborate In trifluoroacetic acid for 1h;	48%

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

: 115-18-4
2-methyl-3-buten-2-ol

: (E)‐2‐(7‐ethyl‐2‐(3‐methyl‐1‐butenyl)‐3‐indolyl)ethan‐1‐ol

Conditions

Conditions	Yield
With Nafion at 120℃; for 24h; Sealed tube; Inert atmosphere; Ionic liquid; regioselective reaction;	47%

: 1191-99-7
2,3-dihydro-2H-furan

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

: 1268685-97-7
C28H36N2O3

Conditions

Conditions	Yield
With hydrogenchloride In methanol; water at 130℃; for 0.00416667h;	43%

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

: 241803-47-4
(2R)-1,2-di(propionyloxy)pentan-3-one

A: 241803-51-0
(1S,1'R)-1,8-diethyl-1-(1',2'-dipropionyloxy)ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole

B: 241803-50-9
(1R,1'R)-1,8-diethyl-1-(1',2'-dipropionyloxy)ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In tetrahydrofuran at 45 - 50℃; for 60h; Cyclization;	A 20.9% B 41.3%

...Expand

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

: 241803-46-3
(2R)-1,2-di(acetyloxy)pentan-3-one

A: 241803-49-6
(1S,1'R)-1,8-diethyl-1-(1',2'-diacetyloxy)ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole

B: 241803-48-5
(1R,1'R)-1,8-diethyl-1-(1',2'-diacetyloxy)ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In toluene at 25℃; for 72h; Cyclization;	A 12.5% B 35.2%

...Expand

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

: 20414-58-8, 100009-70-9
3-methoxypent-2-enedioic acid dimethyl ester

: 200880-24-6
(8-ethyl-1-methoxycarbonylmethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid methyl ester

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 12h;	25.7%

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

: 98-59-9
p-toluenesulfonyl chloride

A: C26H27NO5S2

B: 7-ethyl-3-(2-iodoethyl)-1H-indole

Conditions

Conditions	Yield
Stage #1: 7-ethyl-2-(1H-indol-3-yl)ethan-1-ol With sodium hydride In tetrahydrofuran at 0℃; for 1h; Inert atmosphere; Stage #2: p-toluenesulfonyl chloride In tetrahydrofuran at 20℃; for 16h; Inert atmosphere;	A 14% B n/a

...Expand

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

: 3249-68-1
ethyl butyroyl acetate

: 57816-83-8
(8-ethyl-1-propyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid

Conditions

Conditions	Yield
(i) TsOH, benzene, (ii) aq. NaOH, EtOH; Multistep reaction;

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

: 4949-44-4
ethyl propanoylacetate

: 41340-25-4
etodolac

Conditions

Conditions	Yield
(i) TsOH, benzene, (ii) aq. NaOH, EtOH; Multistep reaction;

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.

Product Name

7-Ethyl tryptophol

Synthetic route

7-Ethyltryptophol Specification

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