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Cas Database |
| Name |
Ethyl indole-2-acetate |
EINECS | 1312995-182-4 |
| CAS No. | 33588-64-6 | Density | 1.187 g/cm3 |
| PSA | 42.09000 | LogP | 2.27350 |
| Solubility | N/A | Melting Point |
28-31℃ |
| Formula | C12H13NO2 | Boiling Point | 353.4 °C at 760 mmHg |
| Molecular Weight | 203.241 | Flash Point | 167.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Indole-2-aceticacid, ethyl ester (6CI,8CI);Ethyl 2-(1H-indol-2-yl)acetate;Ethyl 2-indoleacetate;Indol-2-ylacetic acid ethyl ester; |
Article Data | 34 |
Ethyl indole-2-acetate Synthetic route
- 66073-33-4
4-(2-nitrophenyl)-3-oxobutyric acid ethyl ester
- 33588-64-6
ethyl 2-(1H-indol-2-yl)acetate
| Conditions | Yield |
|---|---|
| With ammonium chloride; zinc In tetrahydrofuran for 2h; | 95% |
| With palladium 10% on activated carbon; hydrogen In ethanol at 25℃; under 760.051 Torr; for 20h; Catalytic behavior; Reagent/catalyst; Solvent; | 91% |
| With ammonium acetate; titanium(III) chloride In acetone for 0.116667h; | 75% |
- 126742-92-5
(E)-4-[2-(1,1,1,3,3,3-Hexamethyl-disilazan-2-yl)-phenyl]-but-2-enoic acid ethyl ester
- 33588-64-6
ethyl 2-(1H-indol-2-yl)acetate
| Conditions | Yield |
|---|---|
| With tetrabutyl ammonium fluoride In tetrahydrofuran at 25℃; for 0.166667h; | 88% |
- 64-17-5
ethanol
- 33588-64-6
ethyl 2-(1H-indol-2-yl)acetate
| Conditions | Yield |
|---|---|
| Stage #1: 2,2-dimethyl-5-[2-(2-nitrophenyl)acetyl]-1,3-dioxane-4,6-dione; ethanol for 5h; Reflux; Inert atmosphere; Stage #2: With ammonium chloride; zinc In tetrahydrofuran at 60℃; for 12h; | 88% |
- 128942-81-4
(Z)-ethyl 3-(2-iodophenylamino)-but-2-enoate
A
- 53855-47-3
ethyl 2-methyl-1H-indole-3-carboxylate
B
- 33588-64-6
ethyl 2-(1H-indol-2-yl)acetate
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); silver orthophosphate In dimethyl sulfoxide at 100℃; for 3.5h; Heck reaction; | A 79% B 17% |
- 101315-54-2
triphenyl((ethyl(2-carbamoyl)acetate)-2-benzyl)phosphonium bromide
- 33588-64-6
ethyl 2-(1H-indol-2-yl)acetate
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In toluene for 0.75h; Heating / reflux; | 78% |
| With potassium tert-butylate In hexane; ethyl acetate; toluene | 78% |
| With potassium tert-butylate In toluene for 0.75h; Reflux; | 78% |
| With potassium tert-butylate In toluene for 0.25h; Heating; | 72% |
| With potassium tert-butylate In toluene for 0.25h; Heating; | 70% |
| Conditions | Yield |
|---|---|
| With silver fluoride In ethanol at 20℃; for 6h; Irradiation; Inert atmosphere; | 65% |
| With norborn-2-ene; bis(benzonitrile)palladium(II) dichloride; sodium hydrogencarbonate In water; N,N-dimethyl-formamide at 70℃; for 18h; Sealed tube; Inert atmosphere; | 57% |
| With tris[2-phenylpyridinato-C2,N]iridium(III); sodium hydrogencarbonate In water; acetonitrile for 18h; Schlenk technique; Inert atmosphere; Irradiation; | 55% |
- 33588-64-6
ethyl 2-(1H-indol-2-yl)acetate
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In ethanol at 20℃; for 24h; | 62% |
- 120-72-9
indole
- 3278-34-0
ethyl 2-(ethoxythiocarbonylthio)acetate
- 33588-64-6
ethyl 2-(1H-indol-2-yl)acetate
| Conditions | Yield |
|---|---|
| With dilauryl peroxide In 1,2-dichloro-ethane for 12h; Heating; | 60% |
| With triethyl borane; iron(II) sulfate In tetrahydrofuran; ethanol; dichloromethane at 20℃; | 30% |
| With tris[2-phenylpyridinato-C2,N]iridium(III); N,N-dimethyl-formamide at 24℃; Minisci Aromatic Substitution; Inert atmosphere; UV-irradiation; regioselective reaction; | 23% |
| Conditions | Yield |
|---|---|
| With tris(bipyridine)ruthenium(II) dichloride hexahydrate In methanol; dichloromethane; water Sealed tube; Irradiation; Cooling with ice; regioselective reaction; | 53% |
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide; sodium thiosulfate; methyloxirane In various solvent(s) at 40℃; Substitution; Photolysis; | 36% |
Ethyl indole-2-acetate Specification
The Ethyl indole-2-acetate, with the CAS registry number 33588-64-6, is also known as Ethyl 2-indoleacetate. This chemical's molecular formula is C12H13NO2 and molecular weight is 203.24. What's more, its IUPAC name is ethyl 2-(1H-indol-2-yl)acetate.
Physical properties of Ethyl indole-2-acetate are: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/BCF (pH 5.5): 41; (5)ACD/KOC (pH 5.5): 495; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 42.09 Å2; (10)Index of Refraction: 1.607; (11)Molar Refractivity: 59.118 cm3; (12)Molar Volume: 171.185 cm3; (13)Surface Tension: 48.438 dyne/cm; (14)Density: 1.187 g/cm3; (15)Flash Point: 167.549 °C; (16)Enthalpy of Vaporization: 59.836 kJ/mol; (17)Boiling Point: 353.43 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)CC1=CC2=CC=CC=C2N1
(2)InChI: InChI=1S/C12H13NO2/c1-2-15-12(14)8-10-7-9-5-3-4-6-11(9)13-10/h3-7,13H,2,8H2,1H3
(3)InChIKey: FODUBFGFNKKYPU-UHFFFAOYSA-N
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