1,8-Nonadiyne

Base Information

• Chemical Name: 1,8-Nonadiyne
• CAS No.: 2396-65-8
• Molecular Formula: C9H12
• Molecular Weight: 120.194
• Hs Code.: 2901299090
• European Community (EC) Number: 219-254-0
• NSC Number: 35136
• UNII: 8CTD2MQ329
• DSSTox Substance ID: DTXSID7062374
• Nikkaji Number: J101.072G
• Wikidata: Q81989997
• Mol file: 2396-65-8.mol

Synonyms:1,8-NONADIYNE;2396-65-8;nona-1,8-diyne;EINECS 219-254-0;NSC 35136;NSC-35136;AI3-37714;MFCD00008581;1,8-Nonadiyne, 98%;NSC35136;8CTD2MQ329;DTXSID7062374;1,8-NONADIYNE, 98%,;AKOS015836219;FT-0607058;N0406;D91699;J-015293

Chemical Property of 1,8-Nonadiyne

Chemical Property:

• Appearance/Colour: Clear colorless liquid.
• Vapor Pressure: 2.87mmHg at 25°C
• Melting Point: -21 °C(lit.)
• Refractive Index: n20/D 1.449(lit.)
• Boiling Point: 162.2 °C at 760 mmHg
• Flash Point: 41.7 °C
• PSA: 0.00000
• Density: 0.831 g/cm³
• LogP: 2.20330
• Storage Temp.: 0-6°C
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 120.093900383
• Heavy Atom Count: 9
• Complexity: 118

Purity/Quality:

1,8-Nonadiyne >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C#CCCCCCC#C
• Uses: 1,8-Nonadiyne was used as starting reagent in the synthesis of 2,6-hexadecadiynoic acid, 2,6-nonadecadiynoic acid and 2,9-hexadecadiynoic acid.

Technology Process of 1,8-Nonadiyne

There total 5 articles about 1,8-Nonadiyne 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: 94.0%

1,5-dibromo-pentane (111-24-0) + acetylene (74-86-2,25067-58-7) → 1,8-nonadiyn (2396-65-8)

Guidance literature:

acetylene; With ammonia; sodium; In neat (no solvent); for 1.58333h;

1,5-dibromo-pentane; In neat (no solvent); Reflux;

DOI:10.1021/jo302353g

Reference yield: 53.0%

1,5-dibromo-pentane (111-24-0) + lithium acetylide-ethylenediamine complex (1216963-74-4) → 1,8-nonadiyn (2396-65-8)

Guidance literature:

In dimethyl sulfoxide; at 20 ℃; for 2h;

DOI:10.1055/s-2003-42421

Reference yield:

1,5-dibromo-pentane (111-24-0) + sodium acetylide (1066-26-8) → 1,8-nonadiyn (2396-65-8)

Guidance literature:

With ammonia;

upstream raw materials:

1,5-dibromo-pentane

sodium acetylide

acetylene

ammonia

Downstream raw materials:

1,5-bis-(3-phenyl-isoxazol-5-yl)-pentane

nona-1,8-diene

2,2,8,8-tetrafluoro-nonane

2,8-difluoro-nona-1,8-diene

Refernces

• 1、 Stille,Frey. "". . p. 1697,1701. Retrieved 1961.
• 2、 Hellbach, Bjoern,Gleiter, Rolf,Rominger, Frank. "Cyclic Diynes by Alkyne Metathesis". . p. 2535 - 2541. Retrieved 2007/10/03.