2-Octyl-1,3-dioxolane

Base Information

• Chemical Name: 2-Octyl-1,3-dioxolane
• CAS No.: 5432-30-4
• Molecular Formula: C11H22 O2
• Molecular Weight: 186.294
• European Community (EC) Number: 226-590-1
• NSC Number: 21898
• UNII: 9XHN8GPC98
• DSSTox Substance ID: DTXSID00202688
• Nikkaji Number: J218.017K
• Mol file: 5432-30-4.mol

Synonyms:2-Octyl-1,3-dioxolane;5432-30-4;1,3-Dioxolane, 2-octyl-;9XHN8GPC98;EINECS 226-590-1;NSC-21898;AI3-30605;2-octyl-[1,3]dioxolane;NSC21898;UNII-9XHN8GPC98;SCHEMBL2103039;DTXSID00202688;NSC 21898;AKOS006293034

Chemical Property of 2-Octyl-1,3-dioxolane

Chemical Property:

• Vapor Pressure: 0.102mmHg at 25°C
• Boiling Point: 230°Cat760mmHg
• Flash Point: 86.9°C
• Density: 0.898g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 186.161979940
• Heavy Atom Count: 13
• Complexity: 109

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCC1OCCO1

Technology Process of 2-Octyl-1,3-dioxolane

There total 16 articles about 2-Octyl-1,3-dioxolane 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: 98.0%

nonan-1-al (124-19-6) + ethylene glycol (107-21-1) → 2-octyl-1,3-dioxolane (5432-30-4)

Guidance literature:

With chloro-trimethyl-silane; In dichloromethane; for 48h; Heating;

DOI:10.1055/s-1983-30280

Reference yield: 60.0%

1-phenylthio-1-trimethylsilylnonane (75340-08-8) + ethylene glycol (107-21-1) → 2-octyl-1,3-dioxolane (5432-30-4)

Guidance literature:

With tetraethylammonium tosylate; In acetonitrile; carbon rod anode, carbon rod cathode (i.d. 2 mm); constant current: 10 mA; electricity 4.16 F/mol;

DOI:10.1016/S0040-4020(01)87051-4

Reference yield:

oct-1-ene (111-66-0,25068-25-1) + carbon monoxide (201230-82-2) + ethylene glycol (107-21-1) → 2-octyl-1,3-dioxolane (5432-30-4) + C11H22O2 (31637-03-3)

Guidance literature:

With dodecacarbonyl-triangulo-triruthenium; tetraethylammonium chloride; hydrogen; acetic acid; at 140 ℃; for 20h; under 15001.5 Torr; Overall yield = 36 %; Overall yield = 87 %Chromat.; regioselective reaction; Ionic liquid; Autoclave; Inert atmosphere;

DOI:10.1016/j.molcata.2014.04.009

upstream raw materials:

2-(5-butyl-[2]thienyl)-[1,3]dioxolane

1-bromo-hexane

2-(2-iodoethyl)-1,3-dioxolane

nonan-1-al

Downstream raw materials:

2-<<1-(phenylthio)nonyl>oxy>ethanol

nonan-1-al

ethylene glycol monononyl ether

Pelargonsaeure-<2-hydroxy-aethylester>

Refernces

• 1、 Gorbunov,Nenasheva,Sinikova,Kardasheva, Yu. S.,Maksimov,Karakhanov. "Tandem Hydroformylation–Acetalization Using a Water-Soluble Catalytic System: a Promising Procedure for Preparing Valuable Oxygen-Containing Compounds from Olefins and Polyols". . p. 990 - 995. Retrieved 2018/09/06.
• 2、 Wang, Peng,Liu, Huan,Li, Yong-Qi,Zhao, Xiao-Li,Lu, Yong,Liu, Ye. "Phosphonium-based aminophosphines as bifunctional ligands for sequential catalysis of one-pot hydroformylation-acetalization of olefins". . p. 3854 - 3861. Retrieved 2016/06/14.