METHYL 13-METHYLTETRADECANOATE

Base Information

• Chemical Name: METHYL 13-METHYLTETRADECANOATE
• CAS No.: 5129-59-9
• Molecular Formula: C16H32O2
• Molecular Weight: 256.429
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID80408101
• Metabolomics Workbench ID: 117315
• Nikkaji Number: J47.572F
• Wikidata: Q63398303
• Mol file: 5129-59-9.mol

Synonyms:13-METHYLMYRISTIC ACID METHYL ESTER;ISO C15 METHYL ESTER;ISO-PENTADECANOIC METHYL ESTER;METHYL 13-METHYLTETRADECANOATE;13-methyldodecanoic acid methyl ester;methyl 13-methylmyristate;13-Methyltetradecanoic acid methyl ester

Chemical Property of METHYL 13-METHYLTETRADECANOATE

Chemical Property:

• Vapor Pressure: 0.0014mmHg at 25°C
• Boiling Point: 296.8°C at 760 mmHg
• Flash Point: 134.7°C
• PSA: 26.30000
• Density: 0.864g/cm³
• LogP: 5.10650
• Storage Temp.: 2-8°C
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 256.240230259
• Heavy Atom Count: 18
• Complexity: 188

Purity/Quality:

98% ^*data from raw suppliers

13-methyl Myristic Acid methyl ester ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCCCCCCCCCC(=O)OC

Technology Process of METHYL 13-METHYLTETRADECANOATE

There total 23 articles about METHYL 13-METHYLTETRADECANOATE 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: 98.0%

methanol (67-56-1) + 13-methyltetradecanoic acid (2485-71-4) → methyl 13-methyltetradecanoate (5129-59-9)

Guidance literature:

With hydrogenchloride; methanol;

Reference yield: 96.0%

Methyl 13-methyl-12-tetradecenoate (117582-43-1) → methyl 13-methyltetradecanoate (5129-59-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In toluene; at 60 ℃; for 12h;

DOI:10.1021/ja00090a018

Reference yield: 87.0%

methyl (Z)-13-methyltetradec-11-enoate → methyl 13-methyltetradecanoate (5129-59-9)

Guidance literature:

With palladium on activated carbon; hydrogen; In ethanol; at 20 ℃; for 20h;

DOI:10.1016/j.chemphyslip.2020.104952

upstream raw materials:

methanol

13-methyltetradecanoic acid

Methyl 13-methyl-12-tetradecenoate

(2R,3R)-3-Hydroxy-2-(13'-methyltetradecanoylamino)-15-methylhexadecanesulfonic acid

Downstream raw materials:

tunicamycin V

13-methyltetradecanoic acid

Refernces

• 1、 Rawling, Tristan,Roseblade, Ariane,Roy, Ritik. "Expansion of the structure-activity relationship of branched chain fatty acids: Effect of unsaturation and branching group size on anticancer activity". . . Retrieved 2020/09/03.
• 2、 Csuk, René,Schulthei?, Andrea,Sommerwerk, Sven,Kluge, Ralph. "Synthesis of a maradolipid without using protecting groups". . p. 2274 - 2276. Retrieved 2013/05/09.