Methyl pentacosanoate

Base Information

• Chemical Name: Methyl pentacosanoate
• CAS No.: 55373-89-2
• Molecular Formula: C26H52 O2
• Molecular Weight: 396.698
• Hs Code.: 2915900090
• European Community (EC) Number: 259-617-0
• DSSTox Substance ID: DTXSID90203922
• Nikkaji Number: J128.786I
• Wikidata: Q83077366
• Mol file: 55373-89-2.mol

Synonyms:Methyl pentacosanoate;55373-89-2;Pentacosanoic acid, methyl ester;Pentacosanoic acid methyl ester;EINECS 259-617-0;Methyl pentacosanoate #;SCHEMBL3505522;DTXSID90203922;CHEBI:151104;HMS3649L08;AKOS025243263;Methyl pentacosanoate, analytical standard;4-Trifluoromethyl-quinoline-2-carboxylicacid;FT-0733889;SR-01000946733;SR-01000946733-1;A54064E3-AC5B-482D-BD24-6596FCD48D2E

Chemical Property of Methyl pentacosanoate

Chemical Property:

• Vapor Pressure: 1.38E-07mmHg at 25°C
• Melting Point: 59-62 °C
• Boiling Point: 429.6°C at 760 mmHg
• Flash Point: 215.5°C
• PSA: 26.30000
• Density: 0.86g/cm³
• LogP: 9.15160
• Storage Temp.: 2-8°C
• XLogP3: 12.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 24
• Exact Mass: 396.396730897
• Heavy Atom Count: 28
• Complexity: 301

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl pentacosanoate analytical standard ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC

Technology Process of Methyl pentacosanoate

There total 8 articles about Methyl pentacosanoate 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:

methanol (67-56-1) + N-((2S,3R,5E)-3-hydroxy-1-O-(β-D-glucopyranosyl)heptadec-5-en-2-yl)pentacosanamide → methyl pentacosanoate (55373-89-2)

Guidance literature:

With hydrogenchloride; at 90 ℃; for 15h; Sealed tube;

DOI:10.3390/molecules21030324

Reference yield:

8-[2-(5-Dodecyl-thiophen-2-yl)-[1,3]dithiolan-2-yl]-octanoic acid methyl ester (111843-84-6) → methyl pentacosanoate (55373-89-2)

Guidance literature:

With W₆ Raney nickel; In ethanol; Heating;

Reference yield:

2-dodecylthiophene (4861-61-4) → methyl pentacosanoate (55373-89-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 65 percent / stannic chloride / benzene / 2 h / Ambient temperature

2: BF₃(OC₂H₅)3 / CHCl₃ / Ambient temperature

3: W₆ Raney nickel / ethanol / Heating

With BF₃(OC₂H₅)3; W₆ Raney nickel; tin(IV) chloride; In ethanol; chloroform; benzene;

upstream raw materials:

methanol

pentacosanoic acid

8-[2-(5-Dodecyl-thiophen-2-yl)-[1,3]dithiolan-2-yl]-octanoic acid methyl ester

2-dodecylthiophene

Downstream raw materials:

pentacosan-1-ol

Refernces

• 1、 Ndom, Jean C.,Mbafor, Joseph T.,Meva'A, Luc M.,Kakam, Zanestsie,Phanuel, Arwa S.,Ndongo, Etienne,Harwood, Laurence M.,Mpondo, Theophile N.. "New alkamide and ent-kaurane diterpenoid derivatives from Senecio erechtitoides (Asteraceae)". . p. 201 - 206. Retrieved 2010.
• 2、 Rao, S. Jagadishwar,Bhalerao, U. T.,Tilak, B. D.. "A New Synthesis of Long Chain Acid Esters and Carbinols". . p. 208 - 211. Retrieved 2007/10/02.