1,2-Dihexadecyloxybenzene

Base Information

• Chemical Name: 1,2-Dihexadecyloxybenzene
• CAS No.: 151237-06-8
• Molecular Formula: C38H70O2
• Molecular Weight: 558.973
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID50566429
• Nikkaji Number: J1.217.754B
• Wikidata: Q82452031
• Mol file: 151237-06-8.mol

Synonyms:1,2-DIHEXADECYLOXYBENZENE;151237-06-8;1,2-dihexadecoxybenzene;Benzene,1,2-bis(hexadecyloxy)-;1,2-bis(hexadecyloxy)benzene;SCHEMBL9394792;DTXSID50566429;AKOS015839838

Chemical Property of 1,2-Dihexadecyloxybenzene

Chemical Property:

• Vapor Pressure: 1.52E-08mmHg at 25°C
• Refractive Index: 1.476
• Boiling Point: 469.7 °C at 760 mmHg
• Flash Point: 68 °C
• PSA: 18.46000
• Density: 0.883 g/cm³
• LogP: 13.40680
• XLogP3: 17.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 32
• Exact Mass: 558.53758147
• Heavy Atom Count: 40
• Complexity: 422

Purity/Quality:

99% ^*data from raw suppliers

1,2-Dihexadecyloxybenzene 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCOC1=CC=CC=C1OCCCCCCCCCCCCCCCC

Technology Process of 1,2-Dihexadecyloxybenzene

There total 3 articles about 1,2-Dihexadecyloxybenzene 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: 92.0%

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) + hexadecanyl bromide (112-82-3) → 1,2-bis(hexadecyloxy)benzene (151237-06-8)

Guidance literature:

With potassium carbonate; In acetone; for 18h; Heating;

DOI:10.1039/a803603i

Reference yield:

1-Hexadecanol (36653-82-4,124-29-8) + benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 1,2-bis(hexadecyloxy)benzene (151237-06-8)

Guidance literature:

With potassium carbonate; potassium iodide; for 10h; Heating;

DOI:10.1039/b703685j

Reference yield:

tosylate de n-hexadecyle (6068-28-6,53012-52-5) + pyrocatechol monosodium salt (34789-97-4) → o-hexadecyloxyphenol + 1,2-bis(hexadecyloxy)benzene (151237-06-8)

Guidance literature:

With methanol;

upstream raw materials:

tosylate de n-hexadecyle

pyrocatechol monosodium salt

benzene-1,2-diol

hexadecanyl bromide

Downstream raw materials:

3,4-dihexadecyloxyacetophenone

1,2-dibromo-4,5-bis(hexadecyloxy)benzene

C₅₂H₈₈N₂O₈

4,5-di(hexadecyloxy)-1,2-dinitrobenzene

Refernces

• 1、 Weihermüller, Johannes,Schlamp, Stephan,Milius, Wolfgang,Puchtler, Florian,Breu, Josef,Ramming, Philipp,Hüttner, Sven,Agarwal, Seema,G?bel, Christoph,Hund, Markus,Papastavrou, Georg,Weber, Birgit. "Amphiphilic iron(ii) spin crossover coordination polymers: Crystal structures and phase transition properties". supporting information. p. 1151 - 1163. Retrieved 2019/02/07.
• 2、 Ludlow, James M.,Saunders, Mary Jane,Huang, Mingjun,Guo, Zaihong,Moorefield, Charles N.,Cheng, Stephen Z. D.,Wesdemiotis, Chrys,Newkome, George R.. "Amphiphilic [tpy-MII-tpy] metallotriangles: synthesis, characterisation and hierarchical ordering". . p. 69 - 79. Retrieved 2016/11/12.