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Cas Database |
| Name |
Ethyl 5-amino-1-benzofuran-2-carboxylate |
EINECS | 1806241-263-5 |
| CAS No. | 174775-48-5 | Density | 1.259 g/cm3 |
| PSA | 65.46000 | LogP | 2.77290 |
| Solubility | N/A | Melting Point |
54-56 °C |
| Formula | C11H11NO3 | Boiling Point | 348.067 °C at 760 mmHg |
| Molecular Weight | 205.213 | Flash Point | 164.306 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes |
 Xi:; |
|
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
5-Aminobenzofuran-2-carboxylicacid ethyl ester;Ethyl 5-aminobenzofuran-2-carboxylate;ethyl 5-amino-1-benzofuran-2-carboxylate; |
Article Data | 15 |
Ethyl 5-amino-1-benzofuran-2-carboxylate Synthetic route
- 69604-00-8
ethyl 5-nitrobenzo[d]furan-2-carboxylate
- 174775-48-5
ethyl 5-amino-1-benzofuran-2-carboxylate
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In ethyl acetate at 33 - 38℃; under 3000.3 - 3750.38 Torr; | 100% |
| With palladium 10% on activated carbon; hydrogen In ethyl acetate at 33 - 38℃; under 3000.3 - 3750.38 Torr; | 100% |
| With hydrogen In ethyl acetate; N,N-dimethyl-formamide under 760.051 Torr; for 4h; Heating; Flow reactor; Green chemistry; | 99% |
- 90-02-8
salicylaldehyde
- 174775-48-5
ethyl 5-amino-1-benzofuran-2-carboxylate
| Conditions | Yield |
|---|---|
| With hydrogen In ethanol at 20℃; for 6h; | 91% |
| Multi-step reaction with 3 steps 1: nitric acid / acetic acid 2: sodium carbonate / 1-methyl-pyrrolidin-2-one 3: hydrogen View Scheme |
- 97-51-8
5-Nitrosalicylaldehyde
- 174775-48-5
ethyl 5-amino-1-benzofuran-2-carboxylate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 15 h / 85 - 90 °C / Inert atmosphere 2: hydrogen; palladium 10% on activated carbon / ethyl acetate / 33 - 38 °C / 3000.3 - 3750.38 Torr View Scheme | |
| Multi-step reaction with 2 steps 1: sodium carbonate / 1-methyl-pyrrolidin-2-one 2: hydrogen View Scheme | |
| Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 15 h / 30 - 90 °C / Inert atmosphere 2: palladium 10% on activated carbon; hydrogen / ethyl acetate / 33 - 38 °C / 3000.3 - 3750.38 Torr View Scheme |
- 2725-81-7
6-nitrocoumarin
- 174775-48-5
ethyl 5-amino-1-benzofuran-2-carboxylate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: bromine / chloroform / 0 - 20 °C 2.1: 1 h / Reflux 2.2: 8 h / Reflux 3.1: hydrogen; 5%-palladium/activated carbon / ethanol / 3 h / 10 - 30 °C / 2250.23 - 3750.38 Torr View Scheme | |
| Multi-step reaction with 4 steps 1: bromine / chloroform / 0 - 20 °C 2: 1 h / Reflux 3: triethylamine / ethanol / 8 h / Reflux 4: hydrogen; 5%-palladium/activated carbon / ethanol / 3 h / 10 - 30 °C / 2250.23 - 3750.38 Torr View Scheme | |
| Multi-step reaction with 4 steps 1: sodium hydroxide / ethanol; water / 4 h / Reflux 2: copper dichloride; caesium carbonate / N,N-dimethyl-formamide / 5 h / 100 °C 3: sulfuric acid / 2 h / Reflux 4: 5%-palladium/activated carbon; hydrogen / ethanol / 3 h / 30 °C / 3000.3 - 3750.38 Torr View Scheme |
- 174775-48-5
ethyl 5-amino-1-benzofuran-2-carboxylate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: 1 h / Reflux 1.2: 8 h / Reflux 2.1: hydrogen; 5%-palladium/activated carbon / ethanol / 3 h / 10 - 30 °C / 2250.23 - 3750.38 Torr View Scheme | |
| Multi-step reaction with 3 steps 1: 1 h / Reflux 2: triethylamine / ethanol / 8 h / Reflux 3: hydrogen; 5%-palladium/activated carbon / ethanol / 3 h / 10 - 30 °C / 2250.23 - 3750.38 Torr View Scheme |
- 50396-49-1
3-(2-hydroxy-5-nitrophenyl)acrylic acid
- 174775-48-5
ethyl 5-amino-1-benzofuran-2-carboxylate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: copper dichloride; caesium carbonate / N,N-dimethyl-formamide / 5 h / 100 °C 2: sulfuric acid / 2 h / Reflux 3: 5%-palladium/activated carbon; hydrogen / ethanol / 3 h / 30 °C / 3000.3 - 3750.38 Torr View Scheme |
- 10242-12-3
5-nitrobenzofuran-2-carboxylic acid
- 174775-48-5
ethyl 5-amino-1-benzofuran-2-carboxylate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sulfuric acid / 2 h / Reflux 2: 5%-palladium/activated carbon; hydrogen / ethanol / 3 h / 30 °C / 3000.3 - 3750.38 Torr View Scheme |
- 174775-48-5
ethyl 5-amino-1-benzofuran-2-carboxylate
| Conditions | Yield |
|---|---|
| With hydrogenchloride In chloroform; water for 1h; | 63.3 mg |
- 174775-48-5
ethyl 5-amino-1-benzofuran-2-carboxylate
| Conditions | Yield |
|---|---|
| Stage #1: (2S,3S)-1-(tert-butoxycarbonyl)-3-(2-methylphenyl)pyrrolidine-2-carboxylic acid With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 0.25h; Stage #2: ethyl 5-amino-1-benzofuran-2-carboxylate In N,N-dimethyl-formamide at 20 - 70℃; for 5h; | 99% |
- 174775-48-5
ethyl 5-amino-1-benzofuran-2-carboxylate
| Conditions | Yield |
|---|---|
| With C40H51ClIrN3; potassium carbonate; deuterium In dichloromethane at 50℃; under 760.051 Torr; for 12h; Sealed tube; Inert atmosphere; regioselective reaction; | 96% |
Ethyl 5-amino-1-benzofuran-2-carboxylate Specification
The 2-Benzofurancarboxylicacid, 5-amino-, ethyl ester, with the CAS registry number 174775-48-5, has the systematic name of ethyl 5-amino-1-benzofuran-2-carboxylate. It belongs to the following product categoies: Aminoacid; Esters; Furans, Benzofurans & Dihydrobenzofurans. And the molecular formula of this chemical is C11H11NO3.
The physical properties of 2-Benzofurancarboxylicacid, 5-amino-, ethyl ester are as followings: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 13; (6)ACD/BCF (pH 7.4): 13; (7)ACD/KOC (pH 5.5): 218; (8)ACD/KOC (pH 7.4): 219; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 65.46 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 57.037 cm3; (15)Molar Volume: 163.024 cm3; (16)Polarizability: 22.611×10-24cm3; (17)Surface Tension: 50.952 dyne/cm; (18)Density: 1.259 g/cm3; (19)Flash Point: 164.306 °C; (20)Enthalpy of Vaporization: 59.241 kJ/mol; (21)Boiling Point: 348.067 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c2oc1ccc(cc1c2)N
(2)InChI: InChI=1/C11H11NO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2,12H2,1H3
(3)InChIKey: YFFLLDHEEWSHQG-UHFFFAOYAK
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