1,3-Dimesitylbenzene

Base Information

• Chemical Name: 1,3-Dimesitylbenzene
• CAS No.: 103068-13-9
• Molecular Formula: C24H26
• Molecular Weight: 314.47
• DSSTox Substance ID: DTXSID50399759
• Nikkaji Number: J786.877D
• Wikidata: Q82202475
• Mol file: 103068-13-9.mol

Synonyms:1,3-Dimesitylbenzene;103068-13-9;1,1':3',1''-Terphenyl, 2,2'',4,4'',6,6''-hexamethyl-;DTXSID50399759;AKOS024330611;2,2'',4,4'',6,6''-Hexamethyl-1,1':3',1''-terphenyl

Chemical Property of 1,3-Dimesitylbenzene

Chemical Property:

• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 314.203450829
• Heavy Atom Count: 24
• Complexity: 339

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)C2=CC(=CC=C2)C3=C(C=C(C=C3C)C)C)C

Technology Process of 1,3-Dimesitylbenzene

There total 4 articles about 1,3-Dimesitylbenzene 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:

[(2,4,6-Me3C6H2)Si(1,3,4,5-tetramethylimidazol-2-ylidene)2]Cl → Im-Me4*BPh3 (1231747-57-1) + 2,4,6,2'',4'',6''-hexamethyl-1,1':3',1''-terphenyl (103068-13-9)

Guidance literature:

Multi-step reaction with 2 steps

1: water / acetonitrile / 6 h / -78 - 20 °C / Inert atmosphere

2: toluene / 7 h / 80 °C / Inert atmosphere

With water; In toluene; acetonitrile;

DOI:10.1002/chem.201805604

Reference yield:

Sn(C6H3-2,6-(C6H2-2,4,6-(CH3)3)2)2 (188685-27-0) + water (7732-18-5) → C48H52O2Sn2 + 2,4,6,2'',4'',6''-hexamethyl-1,1':3',1''-terphenyl (103068-13-9)

Guidance literature:

In diethyl ether; at -78 - 20 ℃; Overall yield = 90 %; Overall yield = 0.1175 g;

DOI:10.1021/acs.organomet.5b00884

Reference yield:

methanol (67-56-1) + Sn(C6H3-2,6-(C6H2-2,4,6-(CH3)3)2)2 (188685-27-0) → C50H56O2Sn2 + 2,4,6,2'',4'',6''-hexamethyl-1,1':3',1''-terphenyl (103068-13-9)

Guidance literature:

In diethyl ether; at -78 - 20 ℃; Overall yield = 93.3 %; Overall yield = 0.2373 g;

DOI:10.1021/acs.organomet.5b00884

upstream raw materials:

Sn(C₆H₃-2,6-(C₆H₂-2,4,6-(CH₃)₃)₂)₂

water

methanol

triphenylborane

Downstream raw materials:

1,3,5-Tri-tert-butylbenzene

P-(2,6-bis-(2,4,6-trimethylphenyl)phenyl)-P,P-dichlorophosphane

1,3-dichloro-2,4-bis[2,4-bis(2,4,6-trimethylphenyl)phenyl]-1,3-diphospha-2,4-diazacyclobutane

2-[2,6-bis-(2,4,6-trimethylphenyl)phenyl]amino-2-arsa-3,7-diazatricyclo[5.4.1.0(3,12)]dodec-3⁽¹²⁾-enylium chloride