1-Pentadecyne

Base Information

• Chemical Name: 1-Pentadecyne
• CAS No.: 765-13-9
• Molecular Formula: C15H28
• Molecular Weight: 208.387
• European Community (EC) Number: 212-140-1
• DSSTox Substance ID: DTXSID9061097
• Nikkaji Number: J147.990C
• Wikidata: Q67866110
• Mol file: 765-13-9.mol

Synonyms:TIMTEC-BB SBB009125;N-TRIDECYLACETYLENE;1-Penatdecyne;1-PENTADECYNE;pentadec-1-yne;1-Pentadecyne,97%

Chemical Property of 1-Pentadecyne

Chemical Property:

• Vapor Pressure: 0.0127mmHg at 25°C
• Melting Point: 10°C
• Refractive Index: n20/D 1.442
• Boiling Point: 130°C 10mm
• Flash Point: >90°C
• PSA: 0.00000
• Density: 0.794 g/mL at 20 °C(lit.)
• LogP: 5.32070
• Water Solubility.: Not miscible in water.
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 11
• Exact Mass: 208.219100893
• Heavy Atom Count: 15
• Complexity: 149

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Pentadecyne ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC#C
• Uses: 1-Pentadecyne is used in pharmaceutical research.

Technology Process of 1-Pentadecyne

There total 12 articles about 1-Pentadecyne 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: 97.9%

1-bromotridecane (765-09-3) + lithium acetylide (70277-75-7) → pentadec-1-yne (765-13-9)

Guidance literature:

With ethylenediamine; In dimethyl sulfoxide; at 0 - 20 ℃;

DOI:10.1016/S0960-894X(97)10217-7

Reference yield: 80.0%

1-bromotridecane (765-09-3) + sodium acetylide (1066-26-8) → pentadec-1-yne (765-13-9)

Guidance literature:

In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; Ambient temperature;

DOI:10.1021/jo00253a039

Reference yield: 65.0%

1,2-dibromopentadecane (28467-72-3) → pentadec-1-yne (765-13-9)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; Heating;

DOI:10.1039/b712707c

upstream raw materials:

1-bromotridecane

sodium acetylide

2-bromo-1-pentadecene

1,2-dibromopentadecane

Downstream raw materials:

2-hexadecynoic acid

tricos-9-yne

(E)-hexadec-2-en-1-ol

erythro-4-(1-hydroxy-2-hexadecenyl)-2-phenyl-Δ²-oxazoline

Refernces

• 1、 Li, Yi,Hesse, Manfred. "The syntheses of cyclic spermine alkaloids: Analogues of buchnerine and budmunchiamine C". . p. 310 - 323. Retrieved 2007/10/03.
• 2、 Garner, Philip,Park, Jung Min,Malecki, Elise. "A Stereodivergent Synthesis of D-erythro-Sphingosine and D-threo-Sphingosine from L-Serine". . p. 4395 - 4398. Retrieved 2007/10/02.