Bis(2,4,6-trichlorophenyl) malonate

Base Information

• Chemical Name: Bis(2,4,6-trichlorophenyl) malonate
• CAS No.: 15781-70-1
• Molecular Formula: C15H6Cl6O4
• Molecular Weight: 462.928
• Hs Code.: 2917399090
• European Community (EC) Number: 800-533-6
• DSSTox Substance ID: DTXSID60382652
• Nikkaji Number: J1.790.953C
• Wikidata: Q72488123
• Mol file: 15781-70-1.mol

Synonyms:15781-70-1;BIS(2,4,6-TRICHLOROPHENYL) MALONATE;Bis(2,4,6-trichlorophenyl) Propanedioate;Malonic acid bis(2,4,6-trichlorophenyl) ester;Malonic acid bis(2,4,6-trichlorophenyl)ester;Malonic acid bis-(2,4,6-trichloro-phenyl) ester;bis(2,4,6-trichlorophenyl)malonate;MFCD00858973;C15H6Cl6O4;SCHEMBL348786;DTXSID60382652;WYPCGKBOSFOHGU-UHFFFAOYSA-N;AKOS015839502;bis(2,4,6-tri-chlorophenyl) malonate;CF-0733;CS-W005362;Bis(2,4,6-trichlorophenyl)propanedioate;SY014798;AM20030063;FT-0650978;malonic acid bis(2,4,6-trichloro-phenyl)ester;EN300-6740293;malonic acid bis(2,4,6-trichloro-phenyl) ester;malonic acid bis-(2,4,6-trichloro-phenyl)ester;malonic acid bis-(2,4,6-trichlorophenyl) ester;A848729;J-009455;J-519858;Propanedioic acid, 1,3-bis(2,4,6-trichlorophenyl) ester;Malonic acid bis(2 pound not4 pound not6-trichlorophenyl)ester;Bis(2,4,6-trichlorophenyl) Malonate

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

Chemical Property:

• Vapor Pressure: 1.49E-12mmHg at 25°C
• Melting Point: 149-150 °C(Solv: benzene (71-43-2))
• Refractive Index: 1.614
• Boiling Point: 559.6°Cat760mmHg
• PKA: 8.02±0.46(Predicted)
• Flash Point: 213°C
• PSA: 52.60000
• Density: 1.648g/cm³
• LogP: 6.50810
• Storage Temp.: 2-8°C
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 461.836775
• Heavy Atom Count: 25
• Complexity: 427

Purity/Quality:

99% ^*data from raw suppliers

Bis(2,4,6-trichlorophenyl)Malonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)OC(=O)CC(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl
• Uses: Bis(2,4,6-trichlorophenyl) Malonate can be used as novel orally active inhibitor of HLE to treat chronic obstructive pulmonary diseases, asthma, emphysema, cystic fibrosis and several inflammatory diseases.

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

There total 1 articles about Bis(2,4,6-trichlorophenyl) malonate 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: 98.0%

malonic acid (141-82-2) + 2,4,6-Trichlorophenol (88-06-2,67471-29-8) → malonic acid bis-(2,4,6-trichloro-phenyl) ester (15781-70-1)

Guidance literature:

With trichlorophosphate; for 4h; Heating;

DOI:10.1016/S0223-5234(03)00046-1

Reference yield: 98.0%

malonic acid bis-(2,4,6-trichloro-phenyl) ester (15781-70-1) + benzylamine (100-46-9) → N,N'-dibenzyl-malonamide (10255-99-9) + 2,4,6-Trichlorophenol (88-06-2,67471-29-8)

Guidance literature:

at 160 ℃; for 0.0166667h;

Reference yield: 94.0%

malonic acid bis-(2,4,6-trichloro-phenyl) ester (15781-70-1) + 2-amino-5-(4'-bromophenyl)-1,3,4-oxadiazole (33621-62-4) → 2-(4-bromophenyl)-7-chloro-5H-[1,3,4]oxadiazolo[3,2-a]pyrimidin-5-one

Guidance literature:

In chlorobenzene; at 100 ℃; for 1h;

DOI:10.1080/00397911.2015.1135349

upstream raw materials:

malonic acid

2,4,6-Trichlorophenol

Downstream raw materials:

2,3-dihydrothiazolo<3,2-a>pyrimidine-5,7-dione

2-allylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5,7-dione

anhydro(8-ethyl-5-hydroxy-7-oxothiazolo<3,2-a>pyrimidinium hydroxide)

Anhydro 8-ethyl-5-hydroxy-7-oxo-1,3,4-thiadiazolo<3,2-a>pyrimidinium hydroxide

Refernces

• 1、 Wallace, Karl J.,Fagbemi, Ruth I.,Folmer-Andersen, Frantz J.,Morey, Jeroni,Lynth, Vincent M.,Anslyn, Eric V.. "Detection of chemical warfare simulants by phosphorylation of a coumarin oximate". . p. 3886 - 3888. Retrieved 2006.
• 2、 Li,Peng,Feng,Wang,Chen,Wang,Li,Li,Wang,Zhang. "A novel dual-emission fluorescent probe for the simultaneous detection of H2S and GSH". . p. 4628 - 4631. Retrieved 2016.
• 3、 -. "Dithioacetal-containing pyridopyrimidone derivative as well as preparation and application thereof". Paragraph 0047; 0050-0051. . Retrieved 2021/09/04.
• 4、 -. "SUBSTITUTED NITROGEN CONTAINING COMPOUNDS". Page/Page column 264. . Retrieved 2019/01/05.