12-Tridecynoic acid

Base Information

• Chemical Name: 12-Tridecynoic acid
• CAS No.: 14502-46-6
• Molecular Formula: C13H22 O2
• Molecular Weight: 210.316
• Hs Code.: 2916190090
• DSSTox Substance ID: DTXSID80364475
• Wikidata: Q82148450
• Metabolomics Workbench ID: 1015
• Mol file: 14502-46-6.mol

Synonyms:12-Tridecynoic acid;tridec-12-ynoic acid;14502-46-6;LCZC1165;SCHEMBL12680242;DTXSID80364475;CHEBI:165452;LMFA01030605;AKOS002346814;EN300-7542820;6-bromo-2-oxo-2,3,4,8-tetrahydro-1,8-naphthyridine-3-carboxylic acid

Chemical Property of 12-Tridecynoic acid

Chemical Property:

• Melting Point: 55°C
• Refractive Index: 1.4126 (estimate)
• Boiling Point: 370.46°C (rough estimate)
• PSA: 37.30000
• Density: 0.9101 (rough estimate)
• LogP: 3.60520
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 210.161979940
• Heavy Atom Count: 15
• Complexity: 200

Purity/Quality:

98%min ^*data from raw suppliers

12-TRIDECYNOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCCCCCCCCCCC(=O)O

Technology Process of 12-Tridecynoic acid

There total 22 articles about 12-Tridecynoic 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: 99.0%

12-tridecynoic acid methyl ester (56909-01-4) → ω-tridecyn-1-oic acid (14502-46-6)

Guidance literature:

With lithium hydroxide monohydrate; water; In tetrahydrofuran; at 25 ℃; for 16h; Inert atmosphere;

Reference yield: 91.0%

tridec-12-yn-1-ol (18202-11-4) → ω-tridecyn-1-oic acid (14502-46-6)

Guidance literature:

With Jones reagent; In ethyl acetate; at 0 ℃; for 2h;

DOI:10.1002/ejoc.201800708

Reference yield: 88.0%

11-bromoundecanoic acid (2834-05-1) + lithium acetylide-ethylenediamine complex (1216963-74-4) → ω-tridecyn-1-oic acid (14502-46-6)

Guidance literature:

In dimethyl sulfoxide; for 2h; Ambient temperature;

upstream raw materials:

12-tridecenoic acid

11-bromoundecanoic acid

acetylene

lithium acetylide-ethylenediamine complex

Downstream raw materials:

12,14-pentacosadiynoic acid

heptacosa-12,14-diynoic acid

tridec-12-yn-1-ol