Chloromethyl tetradecanoate

Base Information

• Chemical Name: Chloromethyl tetradecanoate
• CAS No.: 61413-68-1
• Molecular Formula: C15H29ClO2
• Molecular Weight: 276.847
• DSSTox Substance ID: DTXSID70556322
• Nikkaji Number: J484.817I
• Wikidata: Q82437839
• Mol file: 61413-68-1.mol

Synonyms:CHLOROMETHYL TETRADECANOATE;61413-68-1;Tetradecanoic acid, chloromethyl ester;SCHEMBL10414846;DTXSID70556322;A1-35570

Chemical Property of Chloromethyl tetradecanoate

Chemical Property:

• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 276.1856079
• Heavy Atom Count: 18
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC(=O)OCCl

Technology Process of Chloromethyl tetradecanoate

There total 1 articles about Chloromethyl tetradecanoate 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:

n-Tetradecanoyloxymethylpyridinium chloride → pyridine (110-86-1) + chloromethyl tetradecanoate (61413-68-1)

Guidance literature:

In water; at 25 ℃; Rate constant; Kinetics; pH 4.6 - 9.3, var. temperatures, var. times;

DOI:10.1021/jm00179a001

Reference yield: 78.0%

5-(α-hydroxy-α-2-pyridylbenzyl)-7-(α-2-pyridylbenzylidene)-5-norbornene-2,3-dicarboximide + chloromethyl tetradecanoate (61413-68-1) → {1,3,3a,4,7,7a-hexahydro-5-[hydroxy(phenyl)pyridin-2-ylmethyl]-1,3-dioxo-8-[phenyl(pyridin-2-yl)methylidene]-2H-4,7-methanoisoindol-2-yl}methyl tetradecanoate

Guidance literature:

With C₈H₂₀N^(1-)*I^(1-); caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1002/cbdv.201500241

Reference yield:

chloromethyl tetradecanoate (61413-68-1) → (5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzyl)-2,4-dioxothiazolidin-3-yl)methyl myristoate

Guidance literature:

Multi-step reaction with 2 steps

1: sodium iodide / acetonitrile / 15 h / 25 °C / Darkness

2: potassium carbonate / N,N-dimethyl-formamide / 0.67 h / 25 °C

With potassium carbonate; sodium iodide; In N,N-dimethyl-formamide; acetonitrile;

DOI:10.1021/mp500359a