Ethyl 2-ethoxy-2-iminoacetate

Base Information

• Chemical Name: Ethyl 2-ethoxy-2-iminoacetate
• CAS No.: 816-27-3
• Molecular Formula: C6H11NO3
• Molecular Weight: 145.158
• Hs Code.: 2925290090
• European Community (EC) Number: 806-176-2
• DSSTox Substance ID: DTXSID70448293
• Nikkaji Number: J1.162.292E
• Wikidata: Q72471675
• Mol file: 816-27-3.mol

Synonyms:Ethyl 2-ethoxy-2-iminoacetate;816-27-3;ETHOXY-IMINO-ACETIC ACID ETHYL ESTER;Ethyl ethoxyiminoacetate;ethyl ethoxy(imino)acetate;MFCD06797654;ethyl2-ethoxy-2-iminoacetate;SCHEMBL554111;Ethyl-2-ethoxy-2-iminoacetate;DTXSID70448293;DSHWMBCJDOGPTB-UHFFFAOYSA-N;(E)-ethyl 2-(ethoxyimino)acetate;BBL101134;STL554930;AKOS005257690;CS-W006056;DS-2629;SB38861;2-Imino-2-ethoxyacetic acid ethyl ester;SY047515;FT-0727474;EN300-95917;J-502003

Chemical Property of Ethyl 2-ethoxy-2-iminoacetate

Chemical Property:

• Vapor Pressure: 3.729mmHg at 25°C
• Refractive Index: 1.44
• Boiling Point: 151.068 °C at 760 mmHg
• PKA: 3.21±0.70(Predicted)
• Flash Point: 45.165 °C
• PSA: 59.38000
• Density: 1.081 g/cm³
• LogP: 0.66300
• Storage Temp.: ?20°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 145.07389321
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl 2-ethoxy-2-iminoacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=N)C(=O)OCC

Technology Process of Ethyl 2-ethoxy-2-iminoacetate

There total 6 articles about Ethyl 2-ethoxy-2-iminoacetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 79.5%

ethanol (64-17-5) + ethyl cyanoformate (623-49-4) → ethyl 2-ethoxy-2-iminoacetate (816-27-3)

Guidance literature:

With hydrogenchloride; potassium carbonate; In Petroleum ether; at 0 - 2 ℃; for 48h;

DOI:10.1055/s-1997-1190

Reference yield: 52.9%

ethyl cyanoformate (623-49-4) → ethyl 2-ethoxy-2-iminoacetate (816-27-3)

Guidance literature:

ethyl cyanoformate; With hydrogenchloride; In ethanol; dichloromethane; water; at -3 - 0 ℃; Inert atmosphere;

With triethylamine; In ethanol; dichloromethane; water; at 0 ℃; for 1h; Inert atmosphere;

Reference yield:

ethyl cyanoformate (623-49-4) → ethoxy-imino-acetic acid ethyl ester (816-27-3)

Guidance literature:

With hydrogenchloride; In diethyl ether; ethanol; at -40 ℃; for 1h;

upstream raw materials:

ethanol

ethyl cyanoformate

ethyl iodide

Downstream raw materials:

sodium cyanide

Diethyl carbonate

N,N'-bis-(2-hydroxyethyl)oxamide

3-Amino-7-methylquinoxalin-2(1H)-one

Refernces

• 1、 -. "HETEROCYCLIC AMIDES AS KINASE INHIBITORS". Page/Page column 92. . Retrieved 2018/09/26.
• 2、 -. "HETEREOARYL NITRILE DERIVATIVES". Page 31-32. . Retrieved 2008/06/13.