Pentamethyl(2,3,4,5-tetramethylbenzyl)benzene

Base Information

• Chemical Name: Pentamethyl(2,3,4,5-tetramethylbenzyl)benzene
• CAS No.: 21894-94-0
• Molecular Formula: C22H30
• Molecular Weight: 294.48
• DSSTox Substance ID: DTXSID60403992
• Nikkaji Number: J1.423.679A
• Mol file: 21894-94-0.mol

Synonyms:21894-94-0;AGN-PC-0LCRXV;Pentamethyl(2,3,4,5-tetramethylbenzyl)benzene;DTXSID60403992;AKOS024323769;1,2,3,4,5-PENTAMETHYL-6-(2,3,4,5-TETRAMETHYLBENZYL)BENZENE

Chemical Property of Pentamethyl(2,3,4,5-tetramethylbenzyl)benzene

Chemical Property:

• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 294.234750957
• Heavy Atom Count: 22
• Complexity: 343

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1C)C)C)CC2=C(C(=C(C(=C2C)C)C)C)C

Technology Process of Pentamethyl(2,3,4,5-tetramethylbenzyl)benzene

There total 6 articles about Pentamethyl(2,3,4,5-tetramethylbenzyl)benzene 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:

2,2',3,3',4,4',5,5',6,6'-decamethyldiphenylmethane (5082-88-2) → pentamethylbenzene, (700-12-9) + Hexamethylbenzene (87-85-4) + 2,2',3,3',4,4',5,5',6-nonamethyldiphenylmethane (21894-94-0) + 1,2,3,4,5,6,7,8-octamethylanthracene (64094-28-6)

Guidance literature:

With sodium 2,2,2-trifluoroacetate; trifluoroacetic acid; for 80h; Product distribution; Mechanism; CH₂Cl₂ as a solvent, various reagents and their concentrations, various times;

Reference yield:

pentamethylbenzene, (700-12-9) → 2,2',3,3',4,4',5,5',6-nonamethyldiphenylmethane (21894-94-0)

Guidance literature:

With tetrabutylammonium tetrafluoroborate; In nitromethane; (electrolysis);

Reference yield:

pentamethylbenzene, (700-12-9) → 1-nitro-2,3,4,5,6-pentamethylbenzene (13171-59-0) + 2,2',3,3',4,4',5,5',6-nonamethyldiphenylmethane (21894-94-0)

Guidance literature:

With nitrosonium tetrafluoroborate; In acetonitrile; at 25 ℃; for 8h; Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/jo00098a015

upstream raw materials:

pentamethylbenzene,

2,2',3,3',4,4',5,5',6,6'-decamethyldiphenylmethane

tetranitromethane

Refernces

• 1、 Eberson, Lennart,Hartshorn, Michael P.,Timmerman-Vaughan, David J.. "Photochemical nitration by tetranitromethane. Part XXXIV. The photochemical reactions of pentamethylbenzene and hexamethylbenzene with tetranitromethane. The formation and rearrangement of labile adducts from pentamethylbenzene". . p. 1121 - 1136. Retrieved 2007/10/03.
• 2、 Eberson, Lennart,Radner, Finn. "Thermal and Photochemical Reactions of Aromatic Compounds in Trifluoroacetic Acid, Involving Carbocations and Radical Cations". . p. 630 - 643. Retrieved 2007/10/02.