1,1',1''-Methanetriyltris(2,3,5,6-tetrachlorobenzene)

Base Information

• Chemical Name: 1,1',1''-Methanetriyltris(2,3,5,6-tetrachlorobenzene)
• CAS No.: 105633-26-9
• Molecular Formula: C19H4Cl12
• Molecular Weight: 657.677
• DSSTox Substance ID: DTXSID90544069
• Nikkaji Number: J2.476.158D
• Wikidata: Q82421045
• Mol file: 105633-26-9.mol

Synonyms:105633-26-9;SCHEMBL1952764;DTXSID90544069;1,1',1''-Methanetriyltris(2,3,5,6-tetrachlorobenzene)

Chemical Property of 1,1',1''-Methanetriyltris(2,3,5,6-tetrachlorobenzene)

Chemical Property:

• XLogP3: 12.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 657.648682
• Heavy Atom Count: 31
• Complexity: 486

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1Cl)Cl)C(C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)C3=C(C(=CC(=C3Cl)Cl)Cl)Cl)Cl)Cl

Technology Process of 1,1',1''-Methanetriyltris(2,3,5,6-tetrachlorobenzene)

There total 2 articles about 1,1',1''-Methanetriyltris(2,3,5,6-tetrachlorobenzene) 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: 12.0%

1,2,4,5-tetrachlorobenzene (95-94-3) → Tris<2,3,5,6-tetrachlorophenyl>methane (105633-26-9)

Guidance literature:

With aluminum (III) chloride; In chloroform; at 80 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.bmcl.2016.10.066

Reference yield: 11.0%

1,2,4,5-tetrachlorobenzene (95-94-3) + chloroform (67-66-3,8013-54-5) → Tris<2,3,5,6-tetrachlorophenyl>methane (105633-26-9) + 2,3,5,6-Tetrachloro-α,α,α',α'-tetrakis<2,3,5,6-tetrachlorophenyl>-p-xylene (105633-33-8)

Guidance literature:

With aluminium trichloride; at 160 ℃; for 0.75h;

DOI:10.1055/s-1986-31479

Reference yield: 95.0%

Tris<2,3,5,6-tetrachlorophenyl>methane (105633-26-9) → tris(2,3,5,6-tetrachloro-4-iodophenyl)methane

Guidance literature:

Tris<2,3,5,6-tetrachlorophenyl>methane; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 2h; Inert atmosphere;

With iodine; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1002/anie.202009867

upstream raw materials:

1,2,4,5-tetrachlorobenzene

chloroform

Downstream raw materials:

tris(2,3,5,6‐tetrachlorophenyl)methyl radical

triethyl 4,4',4''-methanetriyltris(2,3,5,6-tetrachlorobenzoate)

tris(2,3,5,6-tetrachloro-4-nitrophenyl)methyl radical

bis[2,3,5,6-tetrachlorophenyl]-[4-(2-hydroxyethyl)-2,3,5,6-tetrachlorophenyl]methane