3,7,10-Tripentoxytriphenylene-2,6,11-triol

Base Information

• Chemical Name: 3,7,10-Tripentoxytriphenylene-2,6,11-triol
• CAS No.: 168847-28-7
• Molecular Formula: C33H42O6
• DSSTox Substance ID: DTXSID20433639
• Nikkaji Number: J665.326J
• Wikidata: Q82247835
• Mol file: 168847-28-7.mol

Synonyms:3,7,10-tripentoxytriphenylene-2,6,11-triol;168847-28-7;2,6,11-Triphenylenetriol, 3,7,10-tris(pentyloxy)-;SCHEMBL8543225;DTXSID20433639;2,6,11-trihydroxy-3,7,10-tri(pent-oxy) triphenylene

Chemical Property of 3,7,10-Tripentoxytriphenylene-2,6,11-triol

Chemical Property:

• XLogP3: 9.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 15
• Exact Mass: 534.29813906
• Heavy Atom Count: 39
• Complexity: 689

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC1=C(C=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=C1)O)OCCCCC)OCCCCC)O)O

Technology Process of 3,7,10-Tripentoxytriphenylene-2,6,11-triol

There total 1 articles about 3,7,10-Tripentoxytriphenylene-2,6,11-triol 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: 33.0%

2,3,6,7,10,11-hexakis(pentyloxy)triphenylene (69079-52-3) → 2,7,10-tris(pentyloxy)-3,6,11-trihydroxytriphenylene (168847-28-7) + 2,6-dihydroxy-3,7,10,11-tetrapentyloxytriphenylene + 2,7-dihydroxy-3,6,10,11-tetrakis(pentyloxy)triphenylene (102737-76-8) + 2,6,10-tris(pentyloxy)-3,7,11-trihydroxytriphenylene (168847-20-9) + 2-hydroxy-3,6,7,10,11-pentapentyloxytriphenylene (163628-91-9)

Guidance literature:

With bromocatecholborane; In dichloromethane; for 36h; Product distribution; Ambient temperature; various amounts of reagent; other times and temperatures;

DOI:10.1055/s-1998-2133

upstream raw materials:

2,3,6,7,10,11-hexakis(pentyloxy)triphenylene