13-Methyltetradecanoic acid

Base Information

• Chemical Name: 13-Methyltetradecanoic acid
• CAS No.: 2485-71-4
• Molecular Formula: C15H30 O2
• Molecular Weight: 242.402
• Hs Code.: 2915900090
• European Community (EC) Number: 256-870-9,636-731-2
• UNII: M09T9M1LTY
• DSSTox Substance ID: DTXSID90179552
• Nikkaji Number: J426.797D
• Wikipedia: 13-Methyltetradecanoic_acid
• Wikidata: Q20179071
• NCI Thesaurus Code: C105828
• Metabolomics Workbench ID: 80
• ChEMBL ID: CHEMBL495851
• Mol file: 2485-71-4.mol

Synonyms:13-methylmyristate;13-methylmyristic acid;13-methyltetradecanoic acid;13-MTD

Chemical Property of 13-Methyltetradecanoic acid

Chemical Property:

• Vapor Pressure: 5.19E-06mmHg at 25°C
• Melting Point: 50.2 °C
• Boiling Point: 355.5 °C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 197.4 °C
• PSA: 37.30000
• Density: 0.894 g/cm³
• LogP: 5.01810
• Storage Temp.: 2-8°C
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 242.224580195
• Heavy Atom Count: 17
• Complexity: 176

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)CCCCCCCCCCCC(=O)O
• Uses: Isopentadecanoic acid is a methylated fatty acid that has been found in dairy ewe rumen liquor, bovine milk, goat milk fat, the edible flesh of rainbow trout (O. mykiss), and Flavobacterium.

Technology Process of 13-Methyltetradecanoic acid

There total 42 articles about 13-Methyltetradecanoic 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: 100.0%

13-Methyl-tetradecanoic acid (R)-1-({[((S)-1-carboxy-2-hydroxy-ethylcarbamoyl)-methyl]-carbamoyl}-methyl)-tetradecyl ester → 13-methyltetradecanoic acid (2485-71-4) + (R)-β-hydroxypalmitic acid (928-17-6,2398-34-7,83780-74-9,20595-04-4)

Guidance literature:

With hydrogenchloride; In water; at 110 ℃; for 20h;

DOI:10.1016/S0040-4020(98)83004-4

Reference yield: 100.0%

(3R)-N-<3-(13'-methyltetradecanoyloxy)-15-methylhexadecanoyl>glycyl-L-serine (179095-19-3,96095-04-4) → 13-methyltetradecanoic acid (2485-71-4) + (3R)-ethyl-3-hydroxy-15-methylhexadecanoate (75352-11-3)

Guidance literature:

With hydrogenchloride; In water; at 110 ℃; for 20h;

DOI:10.1016/S0040-4020(98)83004-4

Reference yield: 97.6%

13-methyl-1-tetradecanal (75853-51-9) → 13-methyltetradecanoic acid (2485-71-4)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; for 72h;

DOI:10.1016/j.tet.2016.10.010

upstream raw materials:

diazomethane

isomyristic acid

13-methyltetradecan-1-ol

10-Keto-13-methyltetradecansaeuremethylester

Downstream raw materials:

methyl 13-methyltetradecanoate

(R)-15-Methyl-3-(13-methyl-tetradecanoyloxy)-hexadecanoic acid benzhydryl ester

(S)-15-Methyl-3-(13-methyl-tetradecanoyloxy)-hexadecanoic acid benzhydryl ester

(15-methyl-3-((13-methyltetradecanoyl)oxy)hexadecanoyl)glycyl-L-serine

Refernces

• 1、 Takikawa, Hirosato,Muto, Shin-Etsu,Nozawa, Dai,Kayo, Akihiro,Mori, Kenji. "Synthesis of sulfobacin A and B, new sulfonolipids isolated from Chryseobacterium sp.". . p. 6931 - 6934. Retrieved 1998.
• 2、 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.
• 3、 Leichnitz, Daniel,Pflanze, Sebastian,Beemelmanns, Christine. "Stereoselective synthesis of unnatural (2S, 3S)-6-hydroxy-4-sphingenine-containing sphingolipids". supporting information. p. 6964 - 6969. Retrieved 2019/08/01.