Ethyl 2-chloro-3-oxopropanoate

Base Information

• Chemical Name: Ethyl 2-chloro-3-oxopropanoate
• CAS No.: 33142-21-1
• Molecular Formula: C5H7ClO3
• Molecular Weight: 150.562
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID50954766
• Nikkaji Number: J416.737F
• Mol file: 33142-21-1.mol

Synonyms:ethyl 2-chloro-3-oxopropanoate;33142-21-1;ETHYL 2-CHLORO-2-FORMYLACETATE;2-Chloro-3-oxopropanoic acid ethyl ester;Propanoic acid, 2-chloro-3-oxo-, ethyl ester;EINECS 251-390-6;MFCD07369378;Ethyl 2-Chloro-2-formylacetateTechnical Grade, 5per cent Suspension in Benzene;Ethyl2-Chloro-3-oxopropanoate;ethyl formylchloroacetate;ethyl alpha-formylchloroacetate;SCHEMBL285850;ethyl 2-chloro-2 formylacetate;ethyl alpha-chloro-formylacetate;ethyl alpha-formyl-chloroacetate;ethyl chloro-alpha-formylacetate;ethyl 2-chloro-3-oxo-propionate;ethyl 2-formyl-2-chloro-acetate;DTXSID50954766;Ethyl 2-Chloro -2-formylacetate;Ethyl 2-chloro-3-oxopropanoatato;2-ethyl 2-chloro-3-oxopropanoate;AMY10622;ethyl alpha-chloro-alpha-formylacetate;AKOS006239982;CS-10166;SY007483;2-chloro-3-oxo-propionic acid ethyl ester;Technical Grade, 5% Suspension in Benzene;BB 0296191;FT-0668201;A904715;J-019038;Ethyl 2-Chloro-2-formylacetate, 5% Suspension in Benzene

Chemical Property of Ethyl 2-chloro-3-oxopropanoate

Chemical Property:

• Vapor Pressure: 1.34mmHg at 25°C
• Melting Point: 88-90 °C(Solv: benzene (71-43-2))
• Refractive Index: 1.431
• Boiling Point: 172.5°Cat760mmHg
• PKA: 4.09±0.29(Predicted)
• Flash Point: 68.2°C
• PSA: 43.37000
• Density: 1.217 g/cm³
• LogP: 0.70500
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 150.0083718
• Heavy Atom Count: 9
• Complexity: 113

Purity/Quality:

99.5% ^*data from raw suppliers

Ethyl2-Chloro-2-formylacetateTechnicalGrade,5%SuspensioninBenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C=O)Cl
• Uses: Material that was assayed to be approximately 80% pure was diluted to 5% in benzene.

Technology Process of Ethyl 2-chloro-3-oxopropanoate

There total 6 articles about Ethyl 2-chloro-3-oxopropanoate 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: 100.0%

chloroacetic acid ethyl ester (105-39-5) + formic acid ethyl ester (109-94-4) → ethyl 2-chloro-3-oxopropanoate (33142-21-1)

Guidance literature:

With sodium ethanolate; In tert-butyl methyl ether; at 0 - 20 ℃; Inert atmosphere; Large scale;

Reference yield:

ethanol (64-17-5) + chloroacetic acid ethyl ester (105-39-5) + formic acid ethyl ester (109-94-4) → ethyl 2-chloro-3-oxopropanoate (33142-21-1)

Guidance literature:

ethanol; With sodium; at 20 ℃; for 4h;

chloroacetic acid ethyl ester; formic acid ethyl ester; In diethyl ether; at 20 ℃;

Reference yield:

potassium (1E)-2-chioro-3-ethoxy-3-oxoprop-1-en-1-olate (1027194-45-1) → ethyl 2-chloro-3-oxopropanoate (33142-21-1)

Guidance literature:

With sulfuric acid; In diethyl ether; water; pH=3;

upstream raw materials:

ethyl 3-ethoxyacrylate

chloroacetic acid ethyl ester

formic acid ethyl ester

ethanol

Downstream raw materials:

ethyl thiazole-5-carboxylate

3-benzylmercapto-1⁽²⁾H-pyrazole-4-carboxylic acid ethyl ester

2-(4-sulfamoyl-phenyl)-thiazole-5-carboxylic acid ethyl ester

3-phenylazo-acrylic acid ethyl ester

Refernces

• 1、 -. "Benzo [d] [1, 3] oxathiol, benzo [d] [1, 3] benzo [d] [1, 3] oxathiol 3 - oxide or 3, 3 - dioxide compounds and G protein-coupled receptor 119 oxathiol action of number as method/use". Paragraph 0768-0770. . Retrieved 2019/04/02.
• 2、 -. "CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME". Page/Page column 278. . Retrieved 2018/09/21.