7,7,14,14,24,24,31,31-Octamethyl-7,14,24,31-tetraazoniapentacyclo(30.2.2.23,6.215,18.220,23)dotetraconta-3,5,15,17,20,22,32,34,35,37,39,41-dodecaene tetrachloride

Base Information

• Chemical Name: 7,7,14,14,24,24,31,31-Octamethyl-7,14,24,31-tetraazoniapentacyclo(30.2.2.23,6.215,18.220,23)dotetraconta-3,5,15,17,20,22,32,34,35,37,39,41-dodecaene tetrachloride
• CAS No.: 92901-70-7
• Molecular Formula: C₄₆H₆₈N₄*4Cl
• Molecular Weight: 818.885
• DSSTox Substance ID: DTXSID10918905
• Mol file: 92901-70-7.mol

Synonyms:92901-70-7;7,7,14,14,24,24,31,31-Octamethyl-7,14,24,31-tetraazoniapentacyclo(30.2.2.23,6.215,18.220,23)dotetraconta-3,5,15,17,20,22,32,34,35,37,39,41-dodecaene tetrachloride;7,14,24,31-Tetraazoniapentacyclo(30.2.2.2(3,6).2(15,18).2(20,23))dotetraconta-3,5,15,17,20,22,32,34,35,37,39,41-dodecaene-7,7,14,14,24,24,31,31-octamethyl-, tetrachloride;DTXSID10918905;7,7,14,14,24,24,31,31-Octamethyl-7,14,24,31-tetraazapentacyclo[30.2.2.2~3,6~.2~15,18~.2~20,23~]dotetraconta-1(34),3,5,15,17,20,22,32,35,37,39,41-dodecaene-7,14,24,31-tetraium tetrachloride

Chemical Property of 7,7,14,14,24,24,31,31-Octamethyl-7,14,24,31-tetraazoniapentacyclo(30.2.2.23,6.215,18.220,23)dotetraconta-3,5,15,17,20,22,32,34,35,37,39,41-dodecaene tetrachloride

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 818.416859
• Heavy Atom Count: 54
• Complexity: 799

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCCCCC[N+](C2=CC=C(CC3=CC=C(C=C3)[N+](CCCCCC[N+](C4=CC=C(CC5=CC=C1C=C5)C=C4)(C)C)(C)C)C=C2)(C)C)C.[Cl-].[Cl-].[Cl-].[Cl-]

Technology Process of 7,7,14,14,24,24,31,31-Octamethyl-7,14,24,31-tetraazoniapentacyclo(30.2.2.23,6.215,18.220,23)dotetraconta-3,5,15,17,20,22,32,34,35,37,39,41-dodecaene tetrachloride

There total 3 articles about 7,7,14,14,24,24,31,31-Octamethyl-7,14,24,31-tetraazoniapentacyclo(30.2.2.23,6.215,18.220,23)dotetraconta-3,5,15,17,20,22,32,34,35,37,39,41-dodecaene tetrachloride 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:

C46H68N4(4+)*C7H7Br*4Cl(1-) → benzyl bromide (100-39-0) + 1,1,8,8,22,22,29,29-Octamethyl-1,8,22,29-tetraazonia<8.1.8.1>paracyclophan-tetrachlorid (92901-70-7)

Guidance literature:

In 1,4-dioxane; water; Equilibrium constant; k(ass.);

Reference yield:

C46H68N4(4+)*C11H9Br*4Cl(1-) → 1,1,8,8,22,22,29,29-Octamethyl-1,8,22,29-tetraazonia<8.1.8.1>paracyclophan-tetrachlorid (92901-70-7) + 2-bromomethylnaphthyl bromide (939-26-4)

Guidance literature:

In 1,4-dioxane; water; Equilibrium constant; k(ass.);

Reference yield:

1-bromomethyl-4-iodobenzene (16004-15-2) + 1,8,22,29-Tetramethyl-1,8,22,29-tetraaza<8.1.8.1>paracyclophan (93367-95-4) + methyl iodide (74-88-4) → 1,1,8,8,22,22,29,29-Octamethyl-1,8,22,29-tetraazonia<8.1.8.1>paracyclophan-tetrachlorid (92901-70-7) + 1-(4-Iodbenzyl)-1,8,8,22,22,29,29-heptamethyl-1,8,22,29-tetraazonia<8.1.8.1>paracyclophan-tetrachlorid (93368-00-4)

Guidance literature:

With Dowex 1 (Cl-); Yield given. Multistep reaction. Title compound not separated from byproducts; 1) sealed tube, 3 d, 80 deg C, 2) H₂O, 60 deg C;

upstream raw materials:

1-bromomethyl-4-iodobenzene

1,8,22,29-Tetramethyl-1,8,22,29-tetraaza<8.1.8.1>paracyclophan

methyl iodide