Ethyl 3-ethoxy-3-iminopropionate hydrochloride CAS 2318-25-4
Introduction：Basic information about Ethyl 3-ethoxy-3-iminopropionate hydrochloride CAS 2318-25-4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Ethyl 3-ethoxy-3-iminopropionate hydrochloride Basic information
| Product Name: | Ethyl 3-ethoxy-3-iminopropionate hydrochloride |
| Synonyms: | propanoicacid,3-ethoxy-3-imino-,ethylester,hydrochloride;3-ethoxy-3-iminopropionate hydrochL;3-ETHOXY-3-IMINOPROPANOIC ACID ETHYL ESTER HYDROCHLORIDE;3-ETHOXY-3-IMINOPROPIONIC ACID ETHYL ESTER HCL;3-ETHOXY-3-IMINOPROPIONIC ACID ETHYL ESTER HYDROCHLORIDE;DIETHYL MALONMONOIMIDATE HYDROCHLORIDE;IMINOESTERCHLOROHYDRATE;ETHYL 3-ETHOXY-3-IMINOPROPIONATE HYDROCHLORIDE |
| CAS: | 2318-25-4 |
| MF: | C7H13NO3.ClH |
| MW: | 195.64 |
| EINECS: | 219-028-1 |
| Product Categories: | |
| Mol File: | 2318-25-4.mol |
Ethyl 3-ethoxy-3-iminopropionate hydrochloride Chemical Properties
| Melting point | 111-113 °C (decomp) |
| storage temp. | 2-8°C |
| Appearance | White to off-white Solid |
| InChI | InChI=1S/C7H13NO3.ClH/c1-3-10-6(8)5-7(9)11-4-2;/h8H,3-5H2,1-2H3;1H |
| InChIKey | HYMXUYQKXCHWDC-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)CC(OCC)=N.[H]Cl |
| CAS DataBase Reference | 2318-25-4(CAS DataBase Reference) |
| EPA Substance Registry System | Ethyl 3-ethoxy-3-iminopropionate hydrochloride (2318-25-4) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26 |
| WGK Germany | 3 |
| F | 10-21 |
| TSCA | TSCA listed |
| HS Code | 29252900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Chemical Properties | White crystalline powder |
| Synthesis | 64-17-5 105-56-6 2318-25-4 Ethyl cyanoacetate (30 mL, 281 mmol) was dissolved with anhydrous ethanol (18.1 mL, 278 mmol) in anhydrous ether (28.1 mL) at 0°C and stirred to form a homogeneous solution. Dry hydrogen chloride gas was passed into the solution until saturation. Subsequently, the reaction mixture was warmed up to 22°C with continuous stirring for 20 hours. Upon completion of the reaction, the solvent was removed by concentration under reduced pressure to afford ethyl 3-ethoxy-3-iminopropionate hydrochloride (54.4 g, 99% yield). The structure of the product was confirmed by 1H NMR (400 MHz, CDCl3): δ 4.73 (q, J = 7.1 Hz, 2H); 4.24 (q, J = 7.2 Hz, 2H); 3.89 (s, 2H); 1.51 (t, J = 7.0 Hz, 3H); 1.30 (t, J = 7.2 Hz, 3H) ppm. |
| References | [1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 23, p. 7207 - 7213 [2] Chemical and Pharmaceutical Bulletin, 1985, vol. 33, # 7, p. 3046 - 3049 [3] Heterocycles, 1996, vol. 43, # 9, p. 1981 - 1989 [4] Tetrahedron, 2009, vol. 65, # 4, p. 757 - 764 [5] Patent: WO2006/7700, 2006, A1. Location in patent: Page/Page column 66-67 |
Ethyl 3-ethoxy-3-iminopropionate hydrochloride Preparation Products And Raw materials
| Raw materials | Ethyl cyanoacetate-->ethyl 3-ethoxy-3-iminopropionate-->Ethanol-->Hydrochloric acid-->Diethyl ether |
| Preparation Products | CARBAMIMIDOYL-ACETIC ACID ETHYL ESTER-->3-Amino-3-iminopropanoic acid ethyl ester hydrochloride-->ETHYL 2-(5-CHLOROBENZO[D]OXAZOL-2-YL)ACETATE-->Ethyl (4-chloro-1,3-benzoxazol-2-yl)acetate |
