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

Base Information

• Chemical Name: Bis(2,4,6-trichlorophenyl) 2-methylmalonate
• CAS No.: 15781-71-2
• Molecular Formula: C16H8Cl6O4
• Molecular Weight: 476.955
• Hs Code.: 2917399090
• DSSTox Substance ID: DTXSID60488426
• Nikkaji Number: J1.790.954A
• Wikidata: Q82331059
• Mol file: 15781-71-2.mol

Synonyms:15781-71-2;BIS(2,4,6-TRICHLOROPHENYL) 2-METHYLMALONATE;bis(2,4,6-trichlorophenyl) 2-methylpropanedioate;SCHEMBL1870358;2-methyl-malonic acid bis-(2,4,6-trichloro-phenyl) ester;DTXSID60488426;MFYQIVLDMHJIIH-UHFFFAOYSA-N;SB74194;WS-01608;CS-0447452;Bis(2,4,6-trichlorophenyl) methylpropanedioate;bis(2,4,6-trichlorophenyl)-2-methyl-malonate;bis (2,4,6-trichlorophenyl) 2-methyl-malonate;BIS(2,4,6-TRICHLOROPHENYL)2-METHYLMALONATE;2-methylmalonic acid bis-(2,4,6-trichloro-phenyl)ester;2-methylmalonic acid bis-(2,4,6-trichloro-phenyl) ester

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

Chemical Property:

• Boiling Point: 561.7±50.0 °C(Predicted)
• PSA: 52.60000
• Density: 1.602±0.06 g/cm3(Predicted)
• LogP: 6.75410
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 475.852425
• Heavy Atom Count: 26
• Complexity: 453

Purity/Quality:

99% ^*data from raw suppliers

Bis(2,4,6-trichlorophenyl)2-methylmalonate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(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) 2-methylmalonate

There total 2 articles about Bis(2,4,6-trichlorophenyl) 2-methylmalonate 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: 92.0%

methyl-propanedioic acid (516-05-2) + 2,4,6-Trichlorophenol (88-06-2,67471-29-8) → bis(2,4,6-trichlorophenyl) 2-methylmalonate (15781-71-2)

Guidance literature:

With trichlorophosphate; at 90 ℃; for 3h;

DOI:10.1016/j.bmcl.2021.128208

Reference yield:

→ bis(2,4,6-trichlorophenyl) 2-methylmalonate (15781-71-2)

Guidance literature:

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

DOI:10.1007/BF00901390

Reference yield: 91.0%

bis(2,4,6-trichlorophenyl) 2-methylmalonate (15781-71-2) + pyrrolidin-2-ylideneacetic acid ethyl ester (25219-53-8,35150-22-2,108139-96-4) → 7-Hydroxy-8-(ethoxycarbonyl)-6-methyl-2,3-dihydro-1H-indolizin-5-one (116993-42-1)

Guidance literature:

In various solvent(s); for 0.5h; Heating;

DOI:10.1016/0223-5234(87)90290-X

upstream raw materials:

methyl-propanedioic acid

2,4,6-Trichlorophenol

Downstream raw materials:

4-hydroxy-3-methyl-pyrano[3,2-b]pyridin-2-one; compound with 2,4,6-trichloro-phenol (1:1)

8-benzyl-6-methyl-5,7-dioxo-5,6,7,8-tetrahydro-thiazolo[3,2-a]pyrimidinylium betaine

8-(3-chloro-benzyl)-6-methyl-5,7-dioxo-3-phenyl-5,6,7,8-tetrahydro-thiazolo[3,2-a]pyrimidinylium betaine

6-methyl-5,7-dioxo-8-(3,4,5-trimethoxy-benzyl)-5,6,7,8-tetrahydro-thiazolo[3,2-a]pyrimidinylium betaine