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2318-25-4

2318-25-4 Structure

2318-25-4 Structure
IdentificationMore
[Name]

Ethyl 3-ethoxy-3-iminopropionate hydrochloride
[CAS]

2318-25-4
[Synonyms]

3-ETHOXY-3-IMINOPROPANOIC ACID ETHYL ESTER HYDROCHLORIDE
3-ETHOXY-3-IMINOPROPIONIC ACID ETHYL ESTER HCL
3-ETHOXY-3-IMINOPROPIONIC ACID ETHYL ESTER HYDROCHLORIDE
AURORA KA-6317
DIETHYL MALONMONOIMIDATE HYDROCHLORIDE
ETHYL 3-ETHOXY-3-IMINOPROPIONATE HYDROCHLORIDE
ETHYL-MONO-IMIDO-MALONATE HCL
IMINOESTERCHLOROHYDRATE
propanoicacid,3-ethoxy-3-imino-,ethylester,hydrochloride
Ethyl3-ethoxy-3-iminopropionateHCl
3-Ethoxy-3-Iminopropanoic Acid Ethyl Ester HCl
Rthyl-Rthoxy-Iminopropionate Hydrochloride
Ethyl 3-ethoxy-3-iminopropioate hydrochloride
3-Ethoxy-3-iminopropionic acid ester ester hydrochloride
ETHYLβ-ETHOXYL-β-IMIDO-PROPIONATEHYDROCHLORIDE
ETHYL-(ETHYLAMIDIN)ACRYLATE HYDROCHLORIDE
[EINECS(EC#)]

219-028-1
[Molecular Formula]

C7H14ClNO3
[MDL Number]

MFCD00051405
[Molecular Weight]

195.64
[MOL File]

2318-25-4.mol
Chemical PropertiesBack Directory
[Appearance]

White crystalline powder
[Melting point ]

111-113 °C (decomp)
[storage temp. ]

2-8°C
[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]

2318-25-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[F ]

10-21
[HS Code ]

29252900
Raw materials And Preparation ProductsBack Directory
[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
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder
[Synthesis]

Ethanol

64-17-5

Ethyl cyanoacetate

105-56-6

Ethyl 3-ethoxy-3-iminopropionate hydrochloride

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
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 3-ethoxy-3-iminopropionate hydrochloride(2318-25-4)1HNMR
Ethyl 3-ethoxy-3-iminopropionate hydrochloride(2318-25-4)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

2318-25-4(sigmaaldrich)
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