Methyl 3-aminocrotonate
Synonym(s):Methyl 3-amino-2-butenoate
- CAS NO.：14205-39-1
- Empirical Formula: C5H9NO2
- Molecular Weight: 115.13
- MDL number: MFCD00071534
- EINECS: 238-056-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:07:02
What is Methyl 3-aminocrotonate?
Chemical properties
Crystals, yellowish-white
The Uses of Methyl 3-aminocrotonate
Methyl 3-aminocrotonate is used as intermediate for the syntheses of pharmaceuticals (e.g. 1,4-dihydropyridine derivatives) as well as for the manufacture of stabilizers and plastics. Product Data Sheet
The Uses of Methyl 3-aminocrotonate
Nitrendipine (N490150) metabolite. The pharmacokinetics of Nitrendipine was studied in the rat and 6 major metabolites were identified.
The Uses of Methyl 3-aminocrotonate
Methyl 3-aminocrotonate (Methyl 3-amino-2-butenoate) was used to synthesize 4-aryl-1,4-dihydropyridines possessing potential calcium channel blocking activity.
Preparation
3-Aminocrotonate Esters, e.g., methyl 3- aminocrotonate [14205-39-1] (3-amino-2-butenoic acid, methyl ester) can be prepared by treatment of acetoacetates with aqueous ammonia. They are mainly used in the production of a series of the dihydropyridine-type calcium antagonists.
General Description
Methyl 3-aminocrotonate undergoes waste-free solid-state cascade reaction with crystalline ninhydrin.
Flammability and Explosibility
Not classified
Properties of Methyl 3-aminocrotonate
| Melting point: | 81-83 °C(lit.) |
| Boiling point: | 112°C 42mm |
| Density | 1.1808 (rough estimate) |
| vapor pressure | 2.79-2.853hPa at 25℃ |
| refractive index | 1.4538 (estimate) |
| Flash point: | 91 °C |
| storage temp. | Keep in dark place,Inert atmosphere,2-8°C |
| solubility | 18g/l |
| pka | 5.27±0.70(Predicted) |
| form | Crystalline Powder |
| color | White to slightly yellow |
| PH | 8-9 (18g/l, H2O, 20℃) |
| Water Solubility | insoluble |
| Sensitive | Hygroscopic |
| BRN | 956592 |
| CAS DataBase Reference | 14205-39-1(CAS DataBase Reference) |
| EPA Substance Registry System | 2-Butenoic acid, 3-amino-, methyl ester (14205-39-1) |
Safety information for Methyl 3-aminocrotonate
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin H318:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
Computed Descriptors for Methyl 3-aminocrotonate
| InChIKey | XKORCTIIRYKLLG-ONEGZZNKSA-N |
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