1,9,17-Octadecatriyne

Base Information

• Chemical Name: 1,9,17-Octadecatriyne
• CAS No.: 4641-83-2
• Molecular Formula: C18H26
• Molecular Weight: 242.399
• NSC Number: 138879
• DSSTox Substance ID: DTXSID30300767
• Wikidata: Q82044098
• Mol file: 4641-83-2.mol

Synonyms:4641-83-2;1,9,17-Octadecatriyne;NSC138879;1,17-Octadecatriyne;DTXSID30300767;NSC-138879

Chemical Property of 1,9,17-Octadecatriyne

Chemical Property:

• Vapor Pressure: 0.000183mmHg at 25°C
• Boiling Point: 339.3°C at 760 mmHg
• Flash Point: 155.4°C
• Density: 0.876g/cm³
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 10
• Exact Mass: 242.203450829
• Heavy Atom Count: 18
• Complexity: 297

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C#CCCCCCCC#CCCCCCCC#C

Technology Process of 1,9,17-Octadecatriyne

There total 4 articles about 1,9,17-Octadecatriyne 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:

1 ,6-dibromohexane (629-03-8) + acetylene (74-86-2,25067-58-7) → Octadecatriin-(1,9,17) (4641-83-2)

Guidance literature:

With ammonia; sodium;

DOI:10.1021/ja01463a028

Reference yield:

1-bromo-6-chlorohexane (6294-17-3) → Octadecatriin-(1,9,17) (4641-83-2)

Guidance literature:

Multi-step reaction with 2 steps

1: liquid ammonia

2: diethyl ether; liquid ammonia / 72 h / Ambient temperature

In diethyl ether; ammonia;

DOI:10.1039/j39670001984

Reference yield:

1,14-dichloro-tetradec-7-yne (71041-98-0) + sodium acetylide (1066-26-8) → Octadecatriin-(1,9,17) (4641-83-2)

Guidance literature:

In diethyl ether; ammonia; for 72h; Ambient temperature;

DOI:10.1039/j39670001984

upstream raw materials:

1 ,6-dibromohexane

sodium acetylide

disodium acetylide

1,14-dichloro-tetradec-7-yne