Methyl 4-(2,4-dichlorophenyl)-2,4-dioxobutanoate

Base Information

• Chemical Name: Methyl 4-(2,4-dichlorophenyl)-2,4-dioxobutanoate
• CAS No.: 175711-73-6
• Molecular Formula: C11H8 Cl2 O4
• Molecular Weight: 275.08
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID00378074
• Wikidata: Q82167536
• Mol file: 175711-73-6.mol

Synonyms:methyl 4-(2,4-dichlorophenyl)-2,4-dioxobutanoate;175711-73-6;4-(2,4-Dichloro-phenyl)-2,4-dioxo-butyric acid methyl ester;MFCD04967382;DTXSID00378074;AC4725;BBL038163;STK299959;AKOS000271346;SY025204;EN300-13856;A881562;methyl4-(2,4-dichlorophenyl)-2,4-dioxobutanoate;SR-01000071694;J-011126;SR-01000071694-1;4-(2,4-dichlorophenyl)-2,4-dioxobutyric acid methyl ester

Chemical Property of Methyl 4-(2,4-dichlorophenyl)-2,4-dioxobutanoate

Chemical Property:

• Vapor Pressure: 3.59E-06mmHg at 25°C
• Refractive Index: 1.546
• Boiling Point: 386.2°Cat760mmHg
• Flash Point: 162°C
• PSA: 60.44000
• Density: 1.41g/cm³
• LogP: 2.30830
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 273.9799641
• Heavy Atom Count: 17
• Complexity: 329

Purity/Quality:

97% ^*data from raw suppliers

Methyl4-(2,4-dichlorophenyl)-2,4-dioxobutanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=O)CC(=O)C1=C(C=C(C=C1)Cl)Cl

Technology Process of Methyl 4-(2,4-dichlorophenyl)-2,4-dioxobutanoate

There total 1 articles about Methyl 4-(2,4-dichlorophenyl)-2,4-dioxobutanoate 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:

Dimethyl oxalate (553-90-2) + 1-(2,4-dichlorophenyl)ethan-1-one (2234-16-4) → C11H8Cl2O4 (175711-73-6)

Guidance literature:

With sodium methylate; In methanol; diethyl ether; at 25 ℃;

DOI:10.1016/j.bmcl.2008.10.107

Reference yield: 80.0%

C11H8Cl2O4 (175711-73-6) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → methyl 2-(2,4-dichlorophenyl)-5,6,7,8-tetrahydroquinoline-4-carboxylate

Guidance literature:

cyclohexanone; With ammonium acetate; In 1,4-dioxane; at 20 ℃; for 0.75h; Inert atmosphere; Green chemistry;

C₁₁H₈Cl₂O₄; With chitosan; In 1,4-dioxane; at 80 ℃; for 12h; regioselective reaction; Inert atmosphere; Green chemistry;

DOI:10.1021/acs.orglett.8b02132

Reference yield: 77.0%

C11H8Cl2O4 (175711-73-6) + cyclopentanone (120-92-3) → methyl 2-(2,4-dichlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylate

Guidance literature:

cyclopentanone; With ammonium acetate; In 1,4-dioxane; at 20 ℃; for 0.75h; Inert atmosphere; Green chemistry;

C₁₁H₈Cl₂O₄; With chitosan; In 1,4-dioxane; at 80 ℃; for 10h; regioselective reaction; Inert atmosphere; Green chemistry;

DOI:10.1021/acs.orglett.8b02132

upstream raw materials:

Dimethyl oxalate

1-(2,4-dichlorophenyl)ethan-1-one

Downstream raw materials:

C₁₁H₈Cl₂N₂O₂

4-(2,4-dichloro-phenyl)-2,4-dioxo-butyric acid