12-Methyltridecanoic acid

Base Information

• Chemical Name: 12-Methyltridecanoic acid
• CAS No.: 2724-57-4
• Molecular Formula: C14H28 O2
• Molecular Weight: 228.375
• Hs Code.: 2915900090
• European Community (EC) Number: 608-066-8
• UNII: J1241I451J
• DSSTox Substance ID: DTXSID30181694
• Nikkaji Number: J330.691G
• Wikidata: Q27104512
• Metabolomics Workbench ID: 78
• Mol file: 2724-57-4.mol

Synonyms:12-methyltridecanoic acid;aseanostatin P1

Chemical Property of 12-Methyltridecanoic acid

Chemical Property:

• Vapor Pressure: 1.68E-05mmHg at 25°C
• Melting Point: 53.3-53.6 °C
• Refractive Index: 1.4312 (estimate)
• Boiling Point: 339.6°Cat760mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 187.2°C
• PSA: 37.30000
• Density: 0.896g/cm³
• LogP: 4.62800
• Storage Temp.: 2-8°C
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 228.208930132
• Heavy Atom Count: 16
• Complexity: 164

Purity/Quality:

99.90% ^*data from raw suppliers

12-Methyltridecanoic acid 98% (capillary GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCCCCCCCCC(=O)O
• Uses: 12-Methyltridecanoic Acid is a branched fatty acid found naturally in fish and in other Asian fermented foods.

Technology Process of 12-Methyltridecanoic acid

There total 28 articles about 12-Methyltridecanoic acid 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%

(Z)-12-methyl-8-tridecenoic acid (102537-86-0) → isomyristic acid (2724-57-4)

Guidance literature:

With hydrogen; platinum(IV) oxide; In methanol; Ambient temperature;

DOI:10.1021/jo00364a024

Reference yield: 96.0%

12-methyltridecanenitrile → isomyristic acid (2724-57-4)

Guidance literature:

With water; sodium hydroxide; In ethanol; for 48h; Inert atmosphere; Reflux;

DOI:10.3762/bjoc.9.210

Reference yield: 60.0%

10-undecenoic acid (112-38-9) + isopropyl chloroformate (108-23-6) → isomyristic acid (2724-57-4)

Guidance literature:

With triethylsilane; triethyl aluminum sesquichloride; In dichloromethane; at -15 - 20 ℃; for 2h;

DOI:10.1021/ja048904y

upstream raw materials:

4-Methylpentanoic acid

sebacic acid mono methyl ester

12-methyl-tridec-7-ynoic acid

ethyl 12-methyltridecanoate

Downstream raw materials:

13-methyltetradecanoic acid

2-(19-methyl-eicosyl)-1H-benzimidazole

12-methyltridecan-1-al

11-methyldodecanal

Refernces

• 1、 Biermann, Ursula,Metzger, Juergen O.. "Alkylation of alkenes: Ethylaluminum sesquichloride-mediated hydro-alkyl additions with alkyl chloroformates and di-tert-butylpyrocarbonate". . p. 10319 - 10330. Retrieved 2007/10/03.
• 2、 Carballeira, Nestor,Thompson, Janice E.,Ayanoglu, Eser,Djerassi, Carl. "Biosynthetic Studies of Marine Lipids. 5. The Biosynthesis of Long-Chain Branched Fatty Acids in Marine Sponges". . p. 2751 - 2756. Retrieved 2007/10/02.