2,3,6,7,10,11-Hexabutoxytriphenylene

Base Information

• Chemical Name: 2,3,6,7,10,11-Hexabutoxytriphenylene
• CAS No.: 70351-85-8
• Molecular Formula: C₄₂H₆₀O₆
• Molecular Weight: 660.935
• DSSTox Substance ID: DTXSID90990547
• Nikkaji Number: J720.513I
• Wikidata: Q82980065
• Mol file: 70351-85-8.mol

Synonyms:2,3,6,7,10,11-hexabutoxytriphenylene;70351-85-8;Hexabutoxytriphenylene;Triphenylene, 2,3,6,7,10,11-hexabutoxy-;SCHEMBL7755326;DTXSID90990547;2,3,6,7,10,11-hexabutyloxytriphenylene

Chemical Property of 2,3,6,7,10,11-Hexabutoxytriphenylene

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 741.246oC at 760 mmHg
• Flash Point: 262.808oC
• PSA: 55.38000
• Density: 1.044g/cm3
• LogP: 12.21960
• XLogP3: 12.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 24
• Exact Mass: 660.43898963
• Heavy Atom Count: 48
• Complexity: 653

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCCCC)OCCCC)OCCCC)OCCCC)OCCCC

Technology Process of 2,3,6,7,10,11-Hexabutoxytriphenylene

There total 4 articles about 2,3,6,7,10,11-Hexabutoxytriphenylene 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: 95.4%

1,2-dibutoxybenzene (20367-35-5) → 2,3,6,7,10,11-hexabutoxytriphenylene (70351-85-8)

Guidance literature:

With molybdenum(V) chloride; In dichloromethane; for 0.333333h; Ambient temperature;

DOI:10.1039/a704130f

Reference yield: 65.0%

1,2-dibutoxybenzene (20367-35-5) → 2,3,6,7,10,11-hexabutoxytriphenylene (70351-85-8) + 2-hydroxy-3,6,7,10,11-pentabutoxybenzophenanthrene (197313-12-5)

Guidance literature:

With iron(III) chloride; trifluoroacetic acid; In nitromethane; at 20 ℃; for 0.5h; Further Variations:; Reagents; reagent ratios; Product distribution;

DOI:10.1016/j.tetlet.2005.02.099

Reference yield:

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 2,3,6,7,10,11-hexabutoxytriphenylene (70351-85-8)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / ethanol

2: iron(III) chloride / dichloromethane; methanol

With iron(III) chloride; potassium carbonate; In methanol; ethanol; dichloromethane;

DOI:10.1016/j.molliq.2021.115798

upstream raw materials:

1,2-dibutoxybenzene

benzene-1,2-diol

Downstream raw materials:

C₆₆H₇₂O₆

2,3,6,7,10,11-hexabutoxy-1,4,8-tris(3,4-dichlorophenyl)triphenylene