Tetradec-13-enoic acid

Base Information

• Chemical Name: Tetradec-13-enoic acid
• CAS No.: 7331-03-5
• Molecular Formula: C14H26O2
• Molecular Weight: 226.359
• DSSTox Substance ID: DTXSID00512633
• Nikkaji Number: J700.876G
• Wikidata: Q82371966
• Mol file: 7331-03-5.mol

Synonyms:Tetradec-13-enoic acid;13-Tetradecenoic acid;7331-03-5;SCHEMBL2798059;DTXSID00512633

Chemical Property of Tetradec-13-enoic acid

Chemical Property:

• Melting Point: 25.1°C (estimate)
• Refractive Index: 1.4486 (estimate)
• Boiling Point: 348.99°C (estimate)
• PSA: 37.30000
• Density: 0.8701 (rough estimate)
• LogP: 4.54810
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 226.193280068
• Heavy Atom Count: 16
• Complexity: 176

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCCCCCCCCCCC(=O)O

Technology Process of Tetradec-13-enoic acid

There total 1 articles about Tetradec-13-enoic 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: 82.0%

β-Propiolactone (57-57-8) + 1-undecen-11-ylbromide (7766-50-9) → 13-tetradecenoic acid (7331-03-5)

Guidance literature:

1-undecen-11-ylbromide; With magnesium; In tetrahydrofuran; at 45 ℃; for 2h;

β-Propiolactone; With copper(l) chloride; In tetrahydrofuran; at 0 ℃; for 1h;

DOI:10.1021/jo061617n

Reference yield: 14.0%

N-phenylselanylphthalimide (71098-88-9) + 13-tetradecenoic acid (7331-03-5) → 14-(phenylselenomethyl)-tetradecanolide (71098-94-7) + 14-Phenylselanyl-oxacyclopentadecan-2-one (71098-96-9)

Guidance literature:

With camphor-10-sulfonic acid; In dichloromethane; at 25 ℃; for 48h;

DOI:10.1016/S0040-4020(01)96722-5

Reference yield: 4.0%

13-tetradecenoic acid (7331-03-5) + diphenyl diselenide (1666-13-3) → 14-(phenylselenomethyl)-tetradecanolide (71098-94-7) + 14-Phenylselanyl-oxacyclopentadecan-2-one (71098-96-9)

Guidance literature:

With copper(I) trifluoromethanesulfonate benzene; barium carbonate; In 1,2-dimethoxyethane; Heating;

upstream raw materials:

β-Propiolactone

1-undecen-11-ylbromide

Downstream raw materials:

13-Tetradecyn-1-oic acid

14-(phenylselenomethyl)-tetradecanolide

14-Phenylselanyl-oxacyclopentadecan-2-one

16-phenylhexadec-13-enoic acid methyl ester