Methyl 18-fluorooctadecanoate

Base Information

• Chemical Name: Methyl 18-fluorooctadecanoate
• CAS No.: 463-29-6
• Molecular Formula: C19H37FO2
• Molecular Weight: 316.49
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID60196796
• Nikkaji Number: J64.730F
• Wikidata: Q83069809
• Mol file: 463-29-6.mol

Synonyms:Methyl 18-fluorooctadecanoate;Methyl 18-fluorostearate;463-29-6;BRN 1791191;OCTADECANOIC ACID, 18-FLUORO-, METHYL ESTER;starbld0049440;Methyl 18-fluoro-octadecanoate;C19H37FO2;DTXSID60196796;CYLLSGSDEOHZKK-UHFFFAOYSA-N;C19-H37-F-O2;18-Fluorooctadecanoic acid methyl ester;LS-97704

Chemical Property of Methyl 18-fluorooctadecanoate

Chemical Property:

• Vapor Pressure: 6.02E-06mmHg at 25°C
• Boiling Point: 379.1°C at 760 mmHg
• Flash Point: 176.8°C
• PSA: 26.30000
• Density: 0.901g/cm³
• LogP: 6.37050
• XLogP3: 8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 18
• Exact Mass: 316.27775858
• Heavy Atom Count: 22
• Complexity: 232

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCCCCCCCCCCCCCCCF

Technology Process of Methyl 18-fluorooctadecanoate

There total 4 articles about Methyl 18-fluorooctadecanoate 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: 71.0%

methyl 18-iodooctadecanoate (150630-59-4) → methyl 18-fluorostearate (463-29-6) + 17-octadecenoic acid methyl ester (18654-84-7)

Guidance literature:

With tetrabutyl ammonium fluoride; In dimethyl sulfoxide;

DOI:10.1007/s11746-012-2015-0

Reference yield:

10-fluoro-decan-1-ol (334-64-5) → methyl 18-fluorostearate (463-29-6)

Guidance literature:

Multi-step reaction with 2 steps

1: chromium (VI)-oxide; aqueous acetic acid

2: sodium / Electrolysis

With chromium(VI) oxide; sodium; acetic acid;

DOI:10.1021/ja01591a062

Reference yield:

methanol (67-56-1) + 10-fluorodecanoic acid (334-59-8) + sebacic acid mono methyl ester (818-88-2) → methyl 18-fluorostearate (463-29-6)

Guidance literature:

With sodium; Electrolysis;

DOI:10.1021/ja01591a062

upstream raw materials:

methanol

10-fluorodecanoic acid

sebacic acid mono methyl ester

10-fluoro-decan-1-ol

Downstream raw materials:

18‐fluorooctadecanoic acid

Refernces