Methyl 12-methyltridecanoate

Base Information

• Chemical Name: Methyl 12-methyltridecanoate
• CAS No.: 5129-58-8
• Molecular Formula: C15H30 O2
• Molecular Weight: 242.402
• Hs Code.: 2915900090
• UNII: B508508OUJ
• DSSTox Substance ID: DTXSID20199288
• Nikkaji Number: J47.547E
• Wikidata: Q27274373
• Mol file: 5129-58-8.mol

Synonyms:Methyl 12-methyltridecanoate;5129-58-8;Methyl isomyristate;12-Methyltridecanoic acid methyl ester;Tridecanoic acid, 12-methyl-, methyl ester;UNII-B508508OUJ;B508508OUJ;Methyl 12-methyltrifdecanoate;METHYL ISOTETRADECANOATE;SCHEMBL1369741;DTXSID20199288;METHYL12-METHYLTRIDECANOATE;FT-0767128;Q27274373

Chemical Property of Methyl 12-methyltridecanoate

Chemical Property:

• Appearance/Colour: Liquid
• Vapor Pressure: 0.00358mmHg at 25°C
• Boiling Point: 281.3 °C at 760 mmHg
• Flash Point: 125 °C
• PSA: 26.30000
• Density: 0.865 g/cm³
• LogP: 4.71640
• Storage Temp.: 2-8°C
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 242.224580195
• Heavy Atom Count: 17
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

12-methyl Tridecanoic 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)CCCCCCCCCCC(=O)OC

Technology Process of Methyl 12-methyltridecanoate

There total 4 articles about Methyl 12-methyltridecanoate 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: 72.0%

Methyl 10-undecenoate (111-81-9) + isopropyl chloroformate (108-23-6) → methyl 12-methyltridecanoate (5129-58-8)

Guidance literature:

With triethylsilane; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1002/(SICI)1521-3773(19991216)38:24<3675::AID-ANIE3675>3.0.CO;2-I

Reference yield:

10-Keto-12-methyltridecansaeuremethylester (95799-78-3) → methyl 12-methyltridecanoate (5129-58-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 38 percent / N₂H₄/OH(-)

With hydroxide; hydrazine;

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + isomyristic acid (2724-57-4) → methyl 12-methyltridecanoate (5129-58-8)

Guidance literature:

DOI:10.1080/00021369.1986.10867376

upstream raw materials:

diazomethane

isomyristic acid

Methyl 10-undecenoate

isopropyl chloroformate

Downstream raw materials:

12-methyltridecan-1-al

Refernces

• 1、 Biermann, Ursula,Metzger, Juergen O.. "Friedel-Crafts alkylation of alkenes: Ethylaluminum sesquichloride induced alkylations with alkyl chloroformates". . p. 3675 - 3677. Retrieved 2007/10/03.
• 2、 Ubukata,Uramoto,Uzawa,Isono. "Structure and biological activity of neopeptins A, B and C, inhibitors of fungal cell wall glycan synthesis". . p. 357 - 365. Retrieved 2007/10/02.