Ethyl 2,2-dichloropropionate

Base Information

• Chemical Name: Ethyl 2,2-dichloropropionate
• CAS No.: 17640-03-8
• Molecular Formula: C5H8Cl2O2
• Molecular Weight: 171.023
• European Community (EC) Number: 241-625-0
• UNII: PH2KJM76T3
• DSSTox Substance ID: DTXSID6066234
• Nikkaji Number: J274.494E
• Wikidata: Q81992822
• Mol file: 17640-03-8.mol

Synonyms:Ethyl 2,2-dichloropropionate;17640-03-8;Propanoic acid, 2,2-dichloro-, ethyl ester;EINECS 241-625-0;ethyl 2,2-dichloropropanoate;PH2KJM76T3;SCHEMBL7107426;DTXSID6066234;2,2-Dichloropropanoic acid ethyl ester;2,2-Dichloropropionic acid ethyl ester;CS-0164178;Propionic acid, 2,2-dichloro-, ethyl ester;ethyl 2,2-dichloropropanoate? (Flurbiprofen Impurity pound(c)

Chemical Property of Ethyl 2,2-dichloropropionate

Chemical Property:

• Vapor Pressure: 1.75mmHg at 25°C
• Boiling Point: 166.8°Cat760mmHg
• Flash Point: 60.1°C
• PSA: 26.30000
• Density: 1.244g/cm³
• LogP: 1.74330
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 169.9901349
• Heavy Atom Count: 9
• Complexity: 112

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(C)(Cl)Cl

Technology Process of Ethyl 2,2-dichloropropionate

There total 9 articles about Ethyl 2,2-dichloropropionate 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: 65.7%

ethyl 1,1-dichloroacetate (535-15-9) + methyl iodide (74-88-4) → ethyl 2,2-dichloropropionate (17640-03-8)

Guidance literature:

With tetraethylammonium chloride; In acetonitrile; Ambient temperature; electrochemical conditions (Fe cathode);

Reference yield:

ethyl 1,1-dichloroacetate (535-15-9) + methyl iodide (74-88-4) → ethyl 2,2-dichloropropionate (17640-03-8)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 - 20 ℃;

DOI:10.1021/jo070209w

Reference yield:

[2,2-Dichloro-1-ethoxy-prop-(Z)-ylidene]-phosphoramidic acid diethyl ester (19784-30-6) → ethyl 2,2-dichloropropionate (17640-03-8)

Guidance literature:

With hydrogenchloride; In ethanol;

upstream raw materials:

ethanol

2,2-dichloropropionitrile

2,2-Dichloropropionic acid

Ethyl trichloroacetate

Downstream raw materials:

2,2-dichloropropanamide

2-phenoxypropionic acid

2-oxo-propionic acid

Pregnenolone