Propanedioic acid, butyl-, bis(2,4,6-trichlorophenyl) ester

Base Information

• Chemical Name: Propanedioic acid, butyl-, bis(2,4,6-trichlorophenyl) ester
• CAS No.: 77510-25-9
• Molecular Formula: C19H14Cl6O4
• Molecular Weight: 519.036
• DSSTox Substance ID: DTXSID50382863
• Nikkaji Number: J1.117.072B
• Wikidata: Q82174330

Synonyms:77510-25-9;Propanedioic acid, butyl-, bis(2,4,6-trichlorophenyl) ester;DTXSID50382863;Butylmalonic acid bis(2,4,6-trichlorophenyl) ester

Chemical Property of Propanedioic acid, butyl-, bis(2,4,6-trichlorophenyl) ester

Chemical Property:

• XLogP3: 9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 517.899375
• Heavy Atom Count: 29
• Complexity: 497

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C(=O)OC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)OC2=C(C=C(C=C2Cl)Cl)Cl

Technology Process of Propanedioic acid, butyl-, bis(2,4,6-trichlorophenyl) ester

There total 1 articles about Propanedioic acid, butyl-, bis(2,4,6-trichlorophenyl) ester 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:

n-butylmalonic acid (534-59-8) + 2,4,6-Trichlorophenol (88-06-2,67471-29-8) → bis(2,4,6-trichlorophenyl)butylmalonate (77510-25-9)

Guidance literature:

With trichlorophosphate;

DOI:10.1007/BF00900980

Reference yield: 99.0%

bis(2,4,6-trichlorophenyl)butylmalonate (77510-25-9) + Phenyl-[1-pyridin-4-yl-eth-(Z)-ylidene]-amine → 5-butyl-4-hydroxy-1-phenyl-1H-[2,4']bipyridinyl-6-one (230638-14-9)

Guidance literature:

In diphenylether; at 220 ℃; for 3h;

DOI:10.1002/jhet.5570360234

Reference yield: 98.0%

bis(2,4,6-trichlorophenyl)butylmalonate (77510-25-9) + 6-hydroxy-2-phenyl-[3H]-pyrimidin-4-one (13566-71-7) → 6-Butyl-5-hydroxy-3-phenyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

Guidance literature:

at 250 ℃; for 0.5h;

DOI:10.1007/BF00816345

upstream raw materials:

n-butylmalonic acid

2,4,6-Trichlorophenol

Downstream raw materials:

1-(4-pyridyl)-3-n-butyl-4-hydroxy-2(1H)-quinolone

1-phenyl-3-n-butyl-1,6-naphthyridin-2(1H)-one

6-n-butyl-7-hydroxy-8-phenyl-2,3-dihydro-1H-indolizin-5-one

7-Butyl-6-hydroxy-2,3-diphenyl-pyrimido[1,2-b][1,2,4]triazin-8-one

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