ChemicalBook--->CAS DataBase List--->2318-25-4

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
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P302+P352-P305+P351+P338
[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
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29252900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
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
[Uses]

Ethyl 3-ethoxy-3-iminopropionate hydrochloride is an intermediate for dacarbamate and acarmine.
[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)
2318-25-4 suppliers list
Company Name: Tianjin Lingxi Technology Co., Ltd  Gold
Telephone: 022-022-60374912 15822944310
Website: www.chemicalbook.com/showsupplierproductslist841782/0_en.htm
Company Name: Henan Ruiyun Chang Industrial Co., LTD  Gold
Telephone: 18539434999
Website: www.chemicalbook.com/ShowSupplierProductsList874055/0_EN.htm
Company Name: Nanjing Tianyi Chemical Technology Co., Ltd  Gold
Telephone: 15150528611
Website: http://www.njtyhgkjyxgs.com
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
Telephone: 4006356688 18621169109
Website: www.x-labseek.com/
Company Name: 3B Pharmachem (Wuhan) International Co.,Ltd.  
Telephone: 18930552037
Website: www.chemicalbook.com/showsupplierproductslist13285/0_en.htm
Company Name: ShangHai DEMO Chemical Co.,Ltd  
Telephone: 400-021-7337 2355568890
Website: www.demochem.com
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Beijing Ouhe Technology Co., Ltd  
Telephone: 13552068683 13522913783
Website: www.ouhetech.cn/
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: Beijing Isomersyn Technology CO;LTD  
Telephone: 010-82954736 13391601435
Website: www.chemicalbook.com/supplier/10680452/1.htm
Company Name: Shanghai Sunway Pharmaceutical Technology Co., Ltd  
Telephone: 13761987713
Website: www.sunwaypharm.cn
Company Name: Nanjing Vital Chemical Co., Ltd.  
Telephone: Please Send Email 18652950785
Website: www.chemicalbook.com/ShowSupplierProductsList15337/0_EN.htm
Company Name: Heterochem  
Telephone: 027-88041443 13072715837
Website: www.hetero-chem.com
Company Name: Thermo Fisher Scientific  
Telephone: 800-810-5118
Website: www.thermo.com.cn
Company Name: Shanghai Topbiochem Technology Co., Ltd  
Telephone: 021-58170097
Website: www.topbiochem.com
Company Name: Shanghai T&W Pharmaceutical Co., Ltd.  
Telephone: +86 21 61551611
Website: www.trustwe.com
Company Name: 9ding chemical ( Shanghai) Limited  
Telephone: 4009209199
Website: www.9dingchem.com
Tags:2318-25-4 Related Product Information
140-88-5 105-37-3 763-69-9 10497-05-9 119413-54-6 6829-40-9 623-33-6 66-84-2 120-47-8 107-95-9 94-09-7 141-78-6 51-79-6 64-17-5 30707-68-7 53411-33-9 30744-85-5 55664-78-3