Methyl 2-chloro-3-oxopropanoate

Base Information

• Chemical Name: Methyl 2-chloro-3-oxopropanoate
• CAS No.: 20656-61-5
• Molecular Formula: C4H5ClO3
• Molecular Weight: 136.535
• Hs Code.: 2918300090
• European Community (EC) Number: 891-898-0
• DSSTox Substance ID: DTXSID70559292
• Nikkaji Number: J1.989.506H
• Mol file: 20656-61-5.mol

Synonyms:methyl 2-chloro-3-oxopropanoate;20656-61-5;Methyl 2-Chloro-2-formylacetate;Propanoic acid, 2-chloro-3-oxo-, methyl ester;2-chloro-3-oxo-propionic acid methyl ester;methyl 2-chloro-3-oxopropionate;MFCD15142843;methyl2-chloro-3-oxopropanoate;methyl formylchloroacetate;Methyl chloromalonaldehydate;SCHEMBL1331568;methyl-2-chloro-2-formylacetate;DTXSID70559292;LXSUVYGZODASAI-UHFFFAOYSA-N;AKOS015848497;CS-10165;EN300-39453

Chemical Property of Methyl 2-chloro-3-oxopropanoate

Chemical Property:

• Boiling Point: 156℃
• PKA: 4.07±0.29(Predicted)
• Flash Point: 64℃
• PSA: 34.14000
• Density: 1.274
• LogP: 1.15330
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 135.9927217
• Heavy Atom Count: 8
• Complexity: 102

Purity/Quality:

98%Min ^*data from raw suppliers

methyl2-chloro-3-oxo-propanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(C=O)Cl

Technology Process of Methyl 2-chloro-3-oxopropanoate

There total 6 articles about Methyl 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: 72.0%

Methyl formate (107-31-3) + methyl chloroacetate (96-34-4) → methyl 2-chloro-3-oxopropionate (20656-61-5)

Guidance literature:

With sodium methylate; In toluene; at 0 ℃; for 5h;

DOI:10.1021/jm0100382

Reference yield:

methyl chloroacetate (96-34-4) + formic acid ethyl ester (109-94-4) → methyl 2-chloro-3-oxopropionate (20656-61-5)

Guidance literature:

With sodium methylate; In toluene; at 10 - 75 ℃; for 12h; Time; Inert atmosphere; Large scale;

Reference yield:

Methyl formate (107-31-3) + methyl chloroacetate (96-34-4) → methyl 2-chloro-3-oxopropionate (20656-61-5)

Guidance literature:

With sodium methylate; toluene; at 0 - 5 ℃; lower-melting form;

upstream raw materials:

Methyl formate

methyl chloroacetate

formic acid ethyl ester

Downstream raw materials:

methyl 2-aminothiazole-5-carboxylate

C₂₁H₂₄N₂O₃S

2-(1-cyclohexylmethyl-7-methoxy-1H-indol-3-yl)-oxazole-5-carboxylic acid methyl ester

methyl 2-methylthiazole-5-carboxylate

Refernces

• 1、 -. "Selenium-containing compounds and their use in treatment of neuro-degenerative diseases". Paragraph 0089; 0097-0099. . Retrieved 2020/12/30.
• 2、 Nelp, Micah T.,Bandarian, Vahe. "A Single Enzyme Transforms a Carboxylic Acid into a Nitrile through an Amide Intermediate". supporting information. p. 10627 - 10629. Retrieved 2015/09/02.