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| CAS No.: | 37178-37-3 |
|---|---|
| Name: | ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C11H15NO4 |
| Molecular Weight: | 225.244 |
| Synonyms: | 3,4-Dihydroxy-L-phenylalanineethyl ester;3-Hydroxy-L-tyrosine ethyl ester;L-Dopa ethyl ester;Levodopa ethyl ester;O-Ethyl-DOPA;Ethyl 3-hydroxy-L-tyrosinate; |
| Density: | 1.279 g/cm3 |
| Boiling Point: | 394.246 °C at 760 mmHg |
| Flash Point: | 192.233 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-36 |
| Safety: | 26 |
| PSA: | 92.78000 |
| LogP: | 1.23100 |
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- 852475-26-4MC1568
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| Conditions | Yield |
|---|---|
| With hydrogenchloride Fischer esterification; | 100% |
| With hydrogenchloride Fisher esterfication; | 100% |
| With thionyl chloride 1.) 0 deg C, 2 h, 2.) room temperature, overnight; | |
| With thionyl chloride for 24h; Reflux; |
| Conditions | Yield |
|---|---|
| With thionyl chloride; 2,6-di-tert-butyl-4-methyl-phenol; sodium hydrogencarbonate; sodium sulfate In ethanol; water | 88% |
| With thionyl chloride; 2,6-di-tert-butyl-4-methyl-phenol; sodium hydrogencarbonate; sodium sulfate In ethanol; water | 88% |
- 24424-99-5
di-tert-butyl dicarbonate
- 37178-37-3
L-DOPA ethyl ester
- 203398-44-1
N-(tert-butoxycarbonyl)-3,4-di(tert-butoxycarbonyloxy)-L-phenylalanine ethyl ester
| Conditions | Yield |
|---|---|
| With triethylamine In N,N-dimethyl-formamide at 20℃; Inert atmosphere; | 97% |
| With triethylamine In N,N-dimethyl-formamide at 20℃; Inert atmosphere; | 97% |
| With triethylamine In N,N-dimethyl-formamide 1.) 0 deg C, 2 h, 2.) room temperature, 48 h; | 42.1 g |
- 37178-37-3
L-DOPA ethyl ester
- 59-92-7
levodopa
| Conditions | Yield |
|---|---|
| With water; sodium chloride In dimethyl sulfoxide at 37℃; Rate constant; also human plasma as reagent; |
- 40774-41-2
3-Bromoindan-1-one
- 37178-37-3
L-DOPA ethyl ester
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0℃; |
- 37178-37-3
L-DOPA ethyl ester
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 42.1 g / triethylamine / dimethylformamide / 1.) 0 deg C, 2 h, 2.) room temperature, 48 h 2: 43 percent Turnov. / CF3CO2Ag, I2 / CH2Cl2 / 24 h / Ambient temperature View Scheme |
- 37178-37-3
L-DOPA ethyl ester
- 37178-37-3
L-DOPA ethyl ester
- 69344-36-1
ethyl 3-(3,4-(dibenzyloxy)phenyl)-2-(tert-butoxycarbonylamino)propanoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium hydrogencarbonate / tetrahydrofuran / 16 h / 20 °C 2: potassium carbonate / acetone / 48 h / Reflux View Scheme |
- 37178-37-3
L-DOPA ethyl ester
- 69295-27-8
ethyl 2-amino-3-(3,4-(dibenzyloxy)phenyl)propanoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: sodium hydrogencarbonate / tetrahydrofuran / 16 h / 20 °C 2: potassium carbonate / acetone / 48 h / Reflux 3: trifluoroacetic acid / dichloromethane / 26 h / 0 - 20 °C View Scheme |
- 37178-37-3
L-DOPA ethyl ester
| Conditions | Yield |
|---|---|
| Multi-step reaction with 6 steps 1.1: sodium hydrogencarbonate / tetrahydrofuran / 16 h / 20 °C 2.1: potassium carbonate / acetone / 48 h / Reflux 3.1: trifluoroacetic acid / dichloromethane / 26 h / 0 - 20 °C 4.1: toluene / 24 h / Reflux 5.1: acetic acid; nitric acid / 1.5 h / 0 °C 5.2: 1.5 h / 80 °C 6.1: hydrazine hydrate / ethanol / 40 h / Reflux View Scheme |
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Specification
The Etilevodopa, with the CAS registry number 37178-37-3, is also known as 3-Hydroxy-L-tyrosine ethyl ester. This chemical's molecular formula is C11H15NO4 and molecular weight is 225.24. What's more, its systematic name is Ethyl 3-hydroxy-L-tyrosinate. Its classification code is Antiparkisonian. This chemical is a dopaminergic agent which is used as a treatment for Parkinson's disease. It is the ethyl ester of levodopa.
Physical properties of Etilevodopa are: (1)ACD/LogP: 0.347; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.40; (4)ACD/LogD (pH 7.4): 0.10; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 21.04; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 92.78 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 58.733 cm3; (15)Molar Volume: 176.167 cm3; (16)Polarizability: 23.283×10-24cm3; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.279 g/cm3; (19)Flash Point: 192.233 °C; (20)Enthalpy of Vaporization: 66.939 kJ/mol; (21)Boiling Point: 394.246 °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)[C@@H](N)Cc1cc(O)c(O)cc
(2)Std. InChI: InChI=1S/C11H15NO4/c1-2-16-11(15)8(12)5-7-3-4-9(13)10(14)6-7/h3-4,6,8,13-14H,2,5,12H2,1H3/t8-/m0/s1
(3)Std. InChIKey: NULMGOSOSZBEQL-QMMMGPOBSA-N