1-Tridecyne

Base Information

• Chemical Name: 1-Tridecyne
• CAS No.: 26186-02-7
• Molecular Formula: C13H24
• Molecular Weight: 180.334
• Hs Code.: 2901299090
• European Community (EC) Number: 247-511-7
• DSSTox Substance ID: DTXSID0067185
• Nikkaji Number: J151.157B
• Wikidata: Q81993767
• Mol file: 26186-02-7.mol

Synonyms:1-Tridecyne;tridec-1-yne;26186-02-7;1-C13H24;EINECS 247-511-7;tridecyne;DTXSID0067185;MFCD00015074;AKOS006230182;AT34840;AS-56337;FT-0608322

Chemical Property of 1-Tridecyne

Chemical Property:

• Vapor Pressure: 0.0833mmHg at 25°C
• Melting Point: -4.99°C
• Refractive Index: 1.4380
• Boiling Point: 233.9°Cat760mmHg
• Flash Point: 92.6°C
• PSA: 0.00000
• Density: 0.794g/cm³
• LogP: 4.54050
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 180.187800766
• Heavy Atom Count: 13
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

1-Tridecyne, 97% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCC#C
• Uses: It finds its application in the synthesis of unsaturated fatty acids and in the stereoselective synthesis of d-erythro- and l-threo-sphinganines via palladium-catalyzed equilibration and Suzuki coupling.

Technology Process of 1-Tridecyne

There total 23 articles about 1-Tridecyne 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: 96.0%

bromoundecane (693-67-4) + lithium acetylide-ethylenediamine complex (1216963-74-4) → tridec-1-yne (26186-02-7)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; In tetrahydrofuran; at -78 - 20 ℃; for 8h; Inert atmosphere;

DOI:10.5935/0103-5053.20130241

Reference yield: 96.0%

1,1-Dibromo-1-tridecene (128803-06-5) → tridec-1-yne (26186-02-7)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; for 1.5h; -78 deg C to r.t.;

Reference yield: 96.0%

Dodecanal (112-54-9) + dimethyl 1-(1-diazo-2-oxopropyl)phosphonate (90965-06-3) → tridec-1-yne (26186-02-7)

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃; for 8h;

DOI:10.1055/s-2003-44346

upstream raw materials:

bromoundecane

sodium acetylide

1,1-dichloro-tridecane

1,2-dibrom-tridecan

Downstream raw materials:

octadec-6-ynoic acid

tetradec-2-yn-1-ol

(4S,1'R,2'E)-4,5-Dihydro-4-(1'-hydroxy-2'-tetradecenyl)-2-phenyl-1,3-oxazole

(4S,1'S,2'E)-4,5-Dihydro-4-(1'-hydroxy-2'-tetradecenyl)-2-phenyl-1,3-oxazole

Refernces

• 1、 Eleftheriadis, Nikolaos,Thee, Stephanie A.,Zwinderman, Martijn R. H.,Leus, Niek G. J.,Dekker, Frank J.. "Activity-Based Probes for 15-Lipoxygenase-1". . p. 12300 - 12305. Retrieved 2016.
• 2、 Okutani, Masaru,Mori, Yuji. "Synthesis of alkynes from vinyl triflates using tetrabutylammonium fluoride". . p. 393 - 396. Retrieved 2015/06/17.
• 3、 Moreira, Jardel A.,Neppe, Tiago,De Paiva, Marcelo M.,Deobald, Anna M.,Batista-Pereira, Luciane G.,Paixa?o, Marcio W.,Corre?a, Arlene G.. "Studies towards the identification of the sex pheromone of Thyrinteina arnobia". . p. 1933 - 1941. Retrieved 2014/01/06.