3-Tridecylhexadecanoic acid

Base Information

Chemical Name:3-Tridecylhexadecanoic acid
CAS No.:180476-36-2
Molecular Formula:C₂₉H₅₈O₂
Molecular Weight:438.778
Hs Code.:
DSSTox Substance ID:DTXSID00571124
Wikidata:Q82458742
Mol file:180476-36-2.mol

Synonyms:3-TRIDECYLHEXADECANOIC ACID;180476-36-2;Hexadecanoic acid, 3-tridecyl-;starbld0002686;SCHEMBL2307250;DTXSID00571124

Suppliers and Price of 3-Tridecylhexadecanoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-TridecylhexadecanoicAcid
250mg
$ 165.00

Medical Isotopes, Inc.
3-TridecylhexadecanoicAcid
2.5 g
$ 2200.00

American Custom Chemicals Corporation
3-TRIDECYLHEXADECANOIC ACID 95.00%
5MG
$ 500.90

Total 1 raw suppliers

Chemical Property of 3-Tridecylhexadecanoic acid

Chemical Property:

PSA：37.30000
LogP:10.47950
XLogP3:14.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:26
Exact Mass:438.44368109
Heavy Atom Count:31
Complexity:327

Purity/Quality:: 3-TridecylhexadecanoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCCCCC(CCCCCCCCCCCCC)CC(=O)O
Uses 3-Tridecylhexadecanoic Acid is a derivative of 14-Heptacosanone (H268520). It is used in the development of Vizantin (an immunostimulant) and displays cytotoxic activity toward Vero cells.

Technology Process of 3-Tridecylhexadecanoic acid

There total 3 articles about 3-Tridecylhexadecanoic 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: 97.0%

: 1416474-19-5
ethyl 3-tridecylhexadecanoate

: 180476-36-2
3-tridecylhexadecanoic acid

Guidance literature:: With potassium hydroxide; In water; butan-1-ol; at 100 ℃; for 4.5h; Inert atmosphere;
DOI:10.1021/jm3016443

Reference yield:

: 542-50-7
heptacosan-14-one

: 180476-36-2
3-tridecylhexadecanoic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium hydride / tetrahydrofuran; mineral oil / 0.5 h / 0 °C / Inert atmosphere

1.2: 18 h / 20 °C / Reflux; Inert atmosphere

2.1: hydrogen; platinum(IV) oxide / chloroform; methanol / 23 h / 20 °C / 760.05 Torr / Inert atmosphere

3.1: potassium hydroxide / butan-1-ol; water / 4.5 h / 100 °C / Inert atmosphere

With platinum(IV) oxide; hydrogen; sodium hydride; potassium hydroxide; In tetrahydrofuran; methanol; chloroform; water; mineral oil; butan-1-ol;
DOI:10.1021/jm3016443

Reference yield:

: 1416474-15-1
ethyl 3-tridecylhexadec-2-enoate

: 180476-36-2
3-tridecylhexadecanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: hydrogen; platinum(IV) oxide / chloroform; methanol / 23 h / 20 °C / 760.05 Torr / Inert atmosphere

2: potassium hydroxide / butan-1-ol; water / 4.5 h / 100 °C / Inert atmosphere

With platinum(IV) oxide; hydrogen; potassium hydroxide; In methanol; chloroform; water; butan-1-ol;
DOI:10.1021/jm3016443