Bis(2,4,6-trichlorophenyl) 2-phenylpropanedioate

Base Information

Chemical Name:Bis(2,4,6-trichlorophenyl) 2-phenylpropanedioate
CAS No.:15781-73-4
Molecular Formula:C21H10 Cl6 O4
Molecular Weight:539.026
Hs Code.:2917399090
DSSTox Substance ID:DTXSID30382023
Nikkaji Number:J1.117.076E
Wikidata:Q82173297
Mol file:15781-73-4.mol

Synonyms:15781-73-4;bis(2,4,6-trichlorophenyl) 2-phenylpropanedioate;Bis(2,4,6-trichlorophenyl) 2-phenylmalonate;Propanedioic acid, phenyl-, bis(2,4,6-trichlorophenyl) ester;Propanedioic acid, 2-phenyl-, 1,3-bis(2,4,6-trichlorophenyl) ester;DI(2,4,6-TRICHLOROPHENYL) 2-PHENYLMALONATE, TECH;SCHEMBL1273899;DTXSID30382023;QGYUICGFAYTSJU-UHFFFAOYSA-N;AKOS028108724;FT-0760564;bis(2,4,6-trichlorophenyl)-2-phenylmalonate;di-(2,4,6-trichlorophenyl)-2-phenylmalonate;Bis(2,4,6-trichlorophenyl) phenylpropanedioate;Phenylmalonic acid bis(2,4,6-trichlorophenyl) ester;1,3-bis(2,4,6-trichlorophenyl) 2-phenylpropanedioate

Suppliers and Price of Bis(2,4,6-trichlorophenyl) 2-phenylpropanedioate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
DI(2,4,6-TRICHLOROPHENYL) 2-PHENYLMALONATE 95.00%
5MG
$ 502.04

Total 2 raw suppliers

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

Chemical Property:

PSA：52.60000
LogP:7.90180
XLogP3:8.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:537.868075
Heavy Atom Count:31
Complexity:563

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(C(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)C(=O)OC3=C(C=C(C=C3Cl)Cl)Cl

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

There total 5 articles about Bis(2,4,6-trichlorophenyl) 2-phenylpropanedioate 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: 50.64%

: 2613-89-0
phenylmalonic acid

: 88-06-2,67471-29-8
2,4,6-Trichlorophenol

: 15781-73-4
di(2,4,6-trichlorophenyl)-2-phenylmalonate

Guidance literature:: phenylmalonic acid; With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 6h; Cooling with ice;

2,4,6-Trichlorophenol; In dichloromethane; N,N-dimethyl-formamide; for 12h;

Reference yield:

: 37818-48-7
2-Phenyl-propanedioyl dichloride

: 88-06-2,67471-29-8
2,4,6-Trichlorophenol

: 15781-73-4
di(2,4,6-trichlorophenyl)-2-phenylmalonate

Guidance literature:: at 20 - 25 ℃; for 18h;

Reference yield:

: 2613-89-0
phenylmalonic acid

: 15781-73-4
di(2,4,6-trichlorophenyl)-2-phenylmalonate

Guidance literature:: Multi-step reaction with 2 steps

1: oxalyl dichloride / N,N-dimethyl-formamide / dichloromethane / 1 h / 20 - 25 °C

2: 18 h / 20 - 25 °C

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;