Methyl 14-hydroxytetradecanoate

Base Information

• Chemical Name: Methyl 14-hydroxytetradecanoate
• CAS No.: 50515-98-5
• Molecular Formula: C15H30O3
• Molecular Weight: 258.39700
• DSSTox Substance ID: DTXSID90531631
• Nikkaji Number: J412.947D
• Wikidata: Q82403633
• Mol file: 50515-98-5.mol

Synonyms:methyl 14-hydroxytetradecanoate;50515-98-5;Tetradecanoic acid, 14-hydroxy-, methyl ester;SCHEMBL2235775;methyl 14-hydroxy-tetradecanoate;DTXSID90531631;VBKONVSYRQSMHY-UHFFFAOYSA-N;F81015

Chemical Property of Methyl 14-hydroxytetradecanoate

Chemical Property:

• Melting Point: 45.5-46 °C
• Boiling Point: 343.9±15.0 °C(Predicted)
• PSA: 46.53000
• Density: 0.932±0.06 g/cm3(Predicted)
• LogP: 3.83290
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 258.21949481
• Heavy Atom Count: 18
• Complexity: 181

Purity/Quality:

Methyl14-hydroxytetradecanoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCCCCCCCCCCCO

Technology Process of Methyl 14-hydroxytetradecanoate

There total 12 articles about Methyl 14-hydroxytetradecanoate 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%

methanol (67-56-1) + 14-hydroxymyristic acid (17278-74-9) → 14-hydroxytetradecanoic acid methyl ester (50515-98-5)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; at 20 ℃; for 72h;

Reference yield: 87.0%

methyl 14-benzyloxytetradec-2-enoate → 14-hydroxytetradecanoic acid methyl ester (50515-98-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; hexane; under 760 Torr;

DOI:10.1021/ol035254e

Reference yield:

methyl hydrogen tetradecanedioate (50515-99-6) → 14-hydroxytetradecanoic acid methyl ester (50515-98-5)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; at 15 - 25 ℃; for 12h; Inert atmosphere;

upstream raw materials:

tetradecane

methanol

14-hydroxymyristic acid

1,12-dodecandiol

Downstream raw materials:

14-hydroxymyristic acid

Refernces

• 1、 -. "HETEROCYCLIC DERIVATIVES". . . Retrieved 2020/08/13.
• 2、 Cryle, Max J.,Matovic, Nick J.,de Voss, James J.. "Products of cytochrome P450Biol (CYP107H1)-catalyzed oxidation of fatty acids". . p. 3341 - 3344. Retrieved 2007/10/03.