Bis(2,4,6-trichlorophenyl) ethylpropanedioate

Base Information

• Chemical Name: Bis(2,4,6-trichlorophenyl) ethylpropanedioate
• CAS No.: 15781-72-3
• Molecular Formula: C17H10Cl6O4
• Molecular Weight: 490.982
• DSSTox Substance ID: DTXSID20382774
• Nikkaji Number: J1.117.073K
• Wikidata: Q82174198
• Mol file: 15781-72-3.mol

Synonyms:15781-72-3;DTXSID20382774;Bis(2,4,6-trichlorophenyl) ethylpropanedioate;syn-Bis(2,4,6-trichlorophenyl) 2-ethylmalonate;Ethylmalonic acid bis(2,4,6-trichlorophenyl) ester

Chemical Property of Bis(2,4,6-trichlorophenyl) ethylpropanedioate

Chemical Property:

• PSA: 52.60000
• LogP: 7.14420
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 489.868075
• Heavy Atom Count: 27
• Complexity: 468

Purity/Quality:

BIS(2,4,6-TRICHLOROPHENYL) ETHYLMALONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Bis(2,4,6-trichlorophenyl) ethylpropanedioate

There total 1 articles about Bis(2,4,6-trichlorophenyl) ethylpropanedioate 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:

→ bis(2,4,6-trichlorophenyl) ethylmalonate (15781-72-3)

Guidance literature:

Ethylmalonsaeuredichlorid, 2,4,6-Trichlor-phenol;

DOI:10.1007/BF00901390

Reference yield: 98.0%

2-(ethylamino)-5-phenyl-1,3,4-thiadiazole (91265-79-1) + bis(2,4,6-trichlorophenyl) ethylmalonate (15781-72-3) → anhydro-2-phenyl-6,8-diethyl-5-hydroxy-7-oxo-1,3,4-thiadiazolo<3,2-a>pyrimidinium hydroxide (91265-81-5)

Guidance literature:

at 160 ℃; for 0.0833333h;

DOI:10.1021/jm00376a027

Reference yield: 97.0%

bis(2,4,6-trichlorophenyl) ethylmalonate (15781-72-3) + (3,5-Dimethoxy-benzyl)-thiazol-2-yl-amine (79147-02-7) → C17H18N2O4S (91265-86-0)

Guidance literature:

at 160 ℃;

DOI:10.1021/jm00143a004

Downstream raw materials:

2-benzylsulfanyl-6-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5,7-dione

5-benzyl-5'-ethyl-[2,2']bi[1,3]thiazinyl-4,6,4',6'-tetraone

anhydro-2-phenyl-6,8-diethyl-5-hydroxy-7-oxo-1,3,4-thiadiazolo<3,2-a>pyrimidinium hydroxide

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