3,6,9,12,15,18,21,24,27,30-Decaoxadotriacontane-1,32-diol

Base Information

• Chemical Name: 3,6,9,12,15,18,21,24,27,30-Decaoxadotriacontane-1,32-diol
• CAS No.: 6809-70-7
• Molecular Formula: C22H46O12
• Molecular Weight: 502.6
• Hs Code.: 2909499000
• European Community (EC) Number: 229-884-8
• DSSTox Substance ID: DTXSID70218291
• Nikkaji Number: J97.002F
• Wikidata: Q27120707
• Metabolomics Workbench ID: 56705
• Mol file: 6809-70-7.mol

Synonyms:Undecaethylene glycol;6809-70-7;3,6,9,12,15,18,21,24,27,30-Decaoxadotriacontane-1,32-diol;HO-PEG11-OH;PEG12;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;EINECS 229-884-8;MFCD26793839;OH-PEG11-OH;Undecaethylene glycol?;SCHEMBL3486923;CHEBI:46801;AMY4480;DTXSID70218291;C22H46O12;C22-H46-O12;BP-22861;BS-24458;SY045926;HY-130342;CS-0107381;S10731;J-525149;Q27120707

Chemical Property of 3,6,9,12,15,18,21,24,27,30-Decaoxadotriacontane-1,32-diol

Chemical Property:

• Vapor Pressure: 1.96E-15mmHg at 25°C
• Boiling Point: 571.4°C at 760 mmHg
• PKA: 14.06±0.10(Predicted)
• Flash Point: 299.3°C
• PSA: 132.76000
• Density: 1.116g/cm³
• LogP: -0.86300
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 31
• Exact Mass: 502.29892690
• Heavy Atom Count: 34
• Complexity: 320

Purity/Quality:

98%,99%, ^*data from raw suppliers

UndecaethyleneGlycol min.97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
• Description: PEG12 is a PEG chain consisting of 12 ethylene glycol subunits and two terminal hydroxyl groups. The hydroxyl groups can participate in reactions to further derivatize the compound. The hydrophilic PEG chain increases the water solubility of the compound in aqueous media. The water solubility properties of the PEG linker are enhanced with longer PEG chains.

Technology Process of 3,6,9,12,15,18,21,24,27,30-Decaoxadotriacontane-1,32-diol

There total 7 articles about 3,6,9,12,15,18,21,24,27,30-Decaoxadotriacontane-1,32-diol 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: 97.0%

C36H58O12 (349113-91-3) → 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (6809-70-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 100 ℃; for 24h; under 6080 Torr;

DOI:10.1021/jo0617464

Reference yield: 87.0%

undecaethylene glycol bis(allyl ether) → 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (6809-70-7)

Guidance literature:

With water; toluene-4-sulfonic acid; palladium on activated charcoal; In methanol; Heating;

DOI:10.1055/s-2004-816007

Reference yield:

2-(2-{2-[2-(2-benzyloxyethoxy)ethoxy]ethoxy}ethoxy)ethanol (57671-28-0,1201808-31-2) → 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (6809-70-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaH / tetrahydrofuran / 23 °C

1.2: 32 percent / tetrahydrofuran / 12 h / 23 °C

2.1: 89 percent / H₂ / Pd/C / ethanol / 2 h / 23 °C

With hydrogen; sodium hydride; palladium on activated charcoal; In tetrahydrofuran; ethanol;

DOI:10.1021/ja066780e

upstream raw materials:

C₃₆H₅₈O₁₂

2-(2-{2-[2-(2-benzyloxyethoxy)ethoxy]ethoxy}ethoxy)ethanol

Tetraethylene glycol

1-phenyl-2,5,8,11-tetraoxatridecan-13-ol

Downstream raw materials:

3,6,9,12,15,18,21,24,27,30,33-undecaoxapentatriacontane-1,35-diyl bis(4-methylbenzenesulfonate)

C₅₅H₁₀₄N₄O₂₄S

hexanedioic acid [2-(2-{2-[2-(2-{2-[2-(2-{2-[2-(2-amino-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethyl]-amide 4-sulfamoyl-benzylamide

Refernces

• 1、 Krishnamurthy, Vijay M.,Semetey, Vincent,Bracher, Paul J.,Shen, Nan,Whitesides, George M.. "Dependence of effective molarity on linker length for an intramolecular protein-ligand system". . p. 1312 - 1320. Retrieved 2007/10/03.
• 2、 Burkett, Brendan A.,Chan, Tak Hang. "An expedient synthesis of monodispersed oligo(ethylene glycols)". . p. 1007 - 1010. Retrieved 2007/10/03.