14-Methylpentadecanoic acid

Base Information

• Chemical Name: 14-Methylpentadecanoic acid
• CAS No.: 4669-02-7
• Deprecated CAS: 68199-95-1,70518-67-1,70518-67-1
• Molecular Formula: C16H32 O2
• Molecular Weight: 256.42
• European Community (EC) Number: 251-256-7,636-922-0
• UNII: IHU3LRR6SX
• DSSTox Substance ID: DTXSID9067726
• Nikkaji Number: J397.595I
• Wikidata: Q27158155
• Metabolomics Workbench ID: 81
• Mol file: 4669-02-7.mol

Synonyms:14-Methylpentadecanoic acid;ISOPALMITIC ACID;Isohexadecanoic acid;4669-02-7;32844-67-0;Pentadecanoic acid, 14-methyl-;IHU3LRR6SX;14-methyl pentadecylic acid;14-methyl-pentadecanoic acid;EINECS 251-256-7;UNII-IHU3LRR6SX;SCHEMBL398305;DTXSID9067726;CHEBI:84890;LMFA01020010;AKOS040734888;BS-1366;HY-W127484;Isopalmitic acid, >=98% (capillary GC);CS-0185712;W-110827;Q27158155

Chemical Property of 14-Methylpentadecanoic acid

Chemical Property:

• Melting Point: 61.5-61.6 °C
• Refractive Index: 1.4374 (estimate)
• Boiling Point: 371°Cat760mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 207.1°C
• PSA: 37.30000
• Density: 0.891g/cm³
• LogP: 5.40820
• Storage Temp.: 2-8°C
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 256.240230259
• Heavy Atom Count: 18
• Complexity: 188

Purity/Quality:

98%Min ^*data from raw suppliers

14-MethylpentadecanoicAcid ^*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)CCCCCCCCCCCCC(=O)O
• Uses: 14-Methylpentadecanoic Acid is a fatty acid found in the soft tissues of the Far-?East bivalve mollusk Spisula sachalinensis. It is also a lipid biomarkers for microbial communities in hydrothermal chimney structures.

Technology Process of 14-Methylpentadecanoic acid

There total 24 articles about 14-Methylpentadecanoic 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: 95.0%

(E)-14-methylpentadec-2-enoic acid → 14-methylpentadecanoic acid (4669-02-7)

Guidance literature:

With palladium on activated carbon; hydrogen; In methanol; for 3h; under 760.051 Torr;

DOI:10.1039/c8ob01268g

Reference yield: 95.0%

14-methylpentadecan-1-ol (20194-48-3) → 14-methylpentadecanoic acid (4669-02-7)

Guidance literature:

With chromium(VI) oxide; periodic acid; In water; acetonitrile; at 0 - 20 ℃; for 9.5h;

DOI:10.1002/anie.201509926

Reference yield: 93.0%

15-methylhexadec-1-en → 14-methylpentadecanoic acid (4669-02-7)

Guidance literature:

With potassium permanganate; tetrabutylammomium bromide; acetic acid; In dichloromethane; water; for 36h; Reflux;

DOI:10.3762/bjoc.9.210

upstream raw materials:

4-bromo-2-methyl-1-buten-3-yne

undec-10-ynoic acid

isooctanoic acid

sebacic acid mono methyl ester

Downstream raw materials:

Isopalmitinsaeure-p-nitrophenylester

Isopalmitoylglycin

Isopalmitoylglycin-p-nitrophenylester

Isopalmitoyl-β-alanin-p-nitrophenylester

Refernces

• 1、 Tsakos, Michail,Clement, Lise L.,Schaffert, Eva S.,Olsen, Frank N.,Rupiani, Sebastiano,Djurhuus, Rasmus,Yu, Wanwan,Jacobsen, Kristian M.,Villadsen, Nikolaj L.,Poulsen, Thomas B.. "Total synthesis and biological evaluation of rakicidin A and discovery of a simplified bioactive analogue". supporting information. p. 1030 - 1035. Retrieved 2016/01/20.
• 2、 -. "METHOD FOR PRODUCING CROSS-COUPLING COMPOUND". Page/Page column 13-14. . Retrieved 2010/01/29.