Methyl 4-(1,1'-biphenyl-4-yl)-2,4-dioxobutanoate

Base Information

• Chemical Name: Methyl 4-(1,1'-biphenyl-4-yl)-2,4-dioxobutanoate
• CAS No.: 63656-27-9
• Molecular Formula: C17H14O4
• Molecular Weight: 282.2907
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID80493491
• Wikidata: Q82340213
• Mol file: 63656-27-9.mol

Synonyms:63656-27-9;methyl 2,4-dioxo-4-(4-phenylphenyl)butanoate;methyl 4-(1,1'-biphenyl-4-yl)-2,4-dioxobutanoate;Methyl 4-([1,1'-biphenyl]-4-yl)-2,4-dioxobutanoate;methyl 4-{[1,1'-biphenyl]-4-yl}-2,4-dioxobutanoate;DTXSID80493491;AKOS002539564;CS-0234723;EN300-14629;Methyl4-([1,1'-biphenyl]-4-yl)-2,4-dioxobutanoate;F2161-0068;METHYL4-(1,1-BIPHENYL-4-YL)-2,4-DIOXOBUTANOATE

Chemical Property of Methyl 4-(1,1'-biphenyl-4-yl)-2,4-dioxobutanoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 460.6°Cat760mmHg
• Flash Point: 170.1°C
• PSA: 60.44000
• Density: 1.226g/cm³
• LogP: 2.66850
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 282.08920892
• Heavy Atom Count: 21
• Complexity: 388

Purity/Quality:

99% ^*data from raw suppliers

METHYL 4-(1,1'-BIPHENYL-4-YL)-2,4-DIOXOBUTANOATE 95.00% ^*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=CC=C(C=C1)C2=CC=CC=C2

Technology Process of Methyl 4-(1,1'-biphenyl-4-yl)-2,4-dioxobutanoate

There total 1 articles about Methyl 4-(1,1'-biphenyl-4-yl)-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) + biphenyl-4-acetaldehyde (92-91-1) → 4-Biphenyl-4-yl-2,4-dioxo-butyric acid methyl ester (63656-27-9)

Guidance literature:

With sodium methylate; In benzene; 1.) 5 deg C, 0.5 h, 2.) RT, 2 h;

DOI:10.1021/jm00362a020

Reference yield: 85.0%

4-Biphenyl-4-yl-2,4-dioxo-butyric acid methyl ester (63656-27-9) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → methyl 2-([1,1'-biphenyl]-4-yl)-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;

4-Biphenyl-4-yl-2,4-dioxo-butyric acid methyl ester; With chitosan; In 1,4-dioxane; at 80 ℃; for 10h; regioselective reaction; Inert atmosphere; Green chemistry;

DOI:10.1021/acs.orglett.8b02132

Reference yield: 81.0%

4-Biphenyl-4-yl-2,4-dioxo-butyric acid methyl ester (63656-27-9) + cyclopentanone (120-92-3) → methyl 2-([1,1'-biphenyl]-4-yl)-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;

4-Biphenyl-4-yl-2,4-dioxo-butyric acid methyl ester; 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

biphenyl-4-acetaldehyde

Downstream raw materials:

4-((1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid

Refernces