3-Ethoxy-3-iminopropionic acid ethyl ester HCl

Base Information

• Chemical Name: 3-Ethoxy-3-iminopropionic acid ethyl ester HCl
• CAS No.: 2318-25-4
• Molecular Formula: C7H14ClNO3
• Molecular Weight: 195.646
• Hs Code.: 29252900
• Mol file: 2318-25-4.mol

Synonyms:3-Ethoxy-3-iminopropionic acid ethyl ester HCl;SCHEMBL16145046

Chemical Property of 3-Ethoxy-3-iminopropionic acid ethyl ester HCl

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 0.688mmHg at 25°C
• Melting Point: 111-113 °C (decomp)
• Boiling Point: 185.7°Cat760mmHg
• Flash Point: 66.1°C
• PSA: 59.38000
• LogP: 1.85510
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 195.0662210
• Heavy Atom Count: 12
• Complexity: 145

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 3-ethoxy-3-imino-propionate hydrochloride technical, ≥85% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=[NH2+])CC(=O)OCC.[Cl-]

Technology Process of 3-Ethoxy-3-iminopropionic acid ethyl ester HCl

There total 4 articles about 3-Ethoxy-3-iminopropionic acid ethyl ester HCl 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: 99.0%

ethanol (64-17-5) + ethyl 2-cyanoacetate (105-56-6) → ethyl 3-ethoxy-3-iminopropanoate hydrochloride (2318-25-4,165895-16-9)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 0 - 22 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.bmcl.2012.09.061

Reference yield: 84.0%

Ethyl 3-ethoxy-3-iminopropionate (27317-59-5) → ethyl 3-ethoxy-3-iminopropanoate hydrochloride (2318-25-4,165895-16-9)

Guidance literature:

With ammonium chloride; In ethanol; at 80 ℃; for 16h;

Reference yield:

ethyl 2-cyanoacetate (105-56-6) → ethyl 3-ethoxy-3-iminopropanoate hydrochloride (2318-25-4,165895-16-9)

Guidance literature:

In ethanol;

upstream raw materials:

ethanol

ethyl 2-cyanoacetate

Ethyl 3-ethoxy-3-iminopropionate

Downstream raw materials:

chloroethane

ethyl malonamate

2,4,6-Triamino-3,5-dicyano-benzoic acid ethyl ester

2-thiazoline-2-acetic acid ethyl ester

Refernces

• 1、 -. "Preparation method of di-tert-butyl-2-(2-ethoxy-2-oxymethyleneethyl)dihydro-3H-imidazopyridine dicarboxylate". Paragraph 0007; 0008. . Retrieved 2020/09/12.
• 2、 -. "Pyridine triazole modified coumarin Cu2 + The preparation method of the fluorescent probe (by machine translation)". Paragraph 0013; 0036; 0041-0042; 0049; 0053-0054. . Retrieved 2019/04/17.