| Identification | Back Directory | [Name]
ETHYL 3-(N-METHYLAMINO) PROPIONATE | [CAS]
2213-08-3 | [Synonyms]
114537
Ethyl N-Methyl-β-alaninate
Ethyl N-methyl-beta-alaninate
N-Methyl-b-alanine ethyl ester
Ethyl 3-(MethylaMino)propanoate
ethyl N-methyl-2-aminopropionate
β-Alanine, N-methyl-, ethyl ester
ETHYL 3-(N-METHYLAMINO) PROPIONATE
.beta.-Alanine, N-methyl-, ethyl ester
3-methylaminopropanoic acid ethyl ester
3-methylaminopropionic acid ethyl ester
3-(Methylamino)propionic acid ethyl ester | [Molecular Formula]
C6H13NO2 | [MDL Number]
MFCD00672194 | [MOL File]
2213-08-3.mol | [Molecular Weight]
131.18 |
| Chemical Properties | Back Directory | [Boiling point ]
242.49°C (rough estimate) | [density ]
1.0070 | [refractive index ]
1.4443 (estimate) | [storage temp. ]
Inert atmosphere,Store in freezer, under -20°C | [solubility ]
Chloroform (Sparingly), Ethyl Acetate (Slightly) | [form ]
Oil | [pka]
9.55±0.10(Predicted) | [color ]
Colourless | [InChI]
InChI=1S/C6H13NO2/c1-3-9-6(8)4-5-7-2/h7H,3-5H2,1-2H3 | [InChIKey]
XVIJMHJTEHBUJI-UHFFFAOYSA-N | [SMILES]
C(=O)(OCC)CCNC |
| Hazard Information | Back Directory | [Uses]
Ethyl N-Methyl-beta-alaninate is an intermediate in the synthesis of Tolafentrine (T531000), which is a dual-selective phosphodiesterase 3/4 inhibitor used in chronic experimental pulmonary hypertension. | [Synthesis Reference(s)]
Journal of the American Chemical Society, 71, p. 2124, 1949 DOI: 10.1021/ja01174a061 | [Synthesis]
1. cool 33% methylamine ethanol solution (100 mL, 805 mmol) in an ice bath at 0 °C.
2. Ethyl acrylate (11.0 mL, 10.1 g, 101 mmol) was added slowly, keeping the reaction temperature at 0 °C with continuous stirring for 2 hours.
3. Gradually warm the reaction mixture to room temperature and continue stirring for 15 minutes.
4. All volatiles were removed by distillation under reduced pressure.
5. The resulting residue (ethyl 3-(methylamino)propionate crude, 11.2 g) was used directly in the subsequent reaction without further purification. | [References]
[1] Monatshefte fur Chemie, 2011, vol. 142, # 10, p. 1055 - 1059
[2] Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1980, p. 1739 - 1745
[3] Journal of Heterocyclic Chemistry, 1997, vol. 34, # 1, p. 87 - 91
[4] Liebigs Annalen der Chemie, 1980, # 9, p. 1438 - 1447
[5] Journal of the American Chemical Society, 1949, vol. 71, p. 2129 |
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