1-Nonen-4-yne

Base Information

• Chemical Name: 1-Nonen-4-yne
• CAS No.: 31508-12-0
• Molecular Formula: C9H14
• Molecular Weight: 122.21
• Hs Code.: 2901299090
• DSSTox Substance ID: DTXSID40185406
• Nikkaji Number: J462.304E
• Wikidata: Q83056429
• Mol file: 31508-12-0.mol

Synonyms:1-Nonen-4-yne;31508-12-0;non-1-en-4-yne;DTXSID40185406;GCZWNQLPRSOVNI-UHFFFAOYSA-N;MFCD00041649;AKOS006227864;FT-0608166

Chemical Property of 1-Nonen-4-yne

Chemical Property:

• Vapor Pressure: 9.17mmHg at 25°C
• Refractive Index: 1.4418
• Boiling Point: 136.3°Cat760mmHg
• Flash Point: 24.8°C
• PSA: 0.00000
• Density: 0.785g/cm³
• LogP: 2.75610
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 122.109550447
• Heavy Atom Count: 9
• Complexity: 120

Purity/Quality:

97% ^*data from raw suppliers

1-NONEN-4-YNE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:Flammable.
• Hazard Codes: R10:Flammable.
• Statements: R10:Flammable.
• Safety Statements: S23:Do not inhale gas/fumes/vapour/spray.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC#CCC=C

Technology Process of 1-Nonen-4-yne

There total 10 articles about 1-Nonen-4-yne 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: 100.0%

allyl bromide (106-95-6) + hex-1-yne (693-02-7) → non-1-en-4-yne (31508-12-0)

Guidance literature:

With copper(l) iodide; potassium carbonate; sodium sulfite; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dimethyl sulfoxide; at 30 ℃; for 4h;

DOI:10.1016/j.tetlet.2007.08.010

Reference yield: 76.0%

→ non-1-en-4-yne (31508-12-0)

Guidance literature:

With ethyl bromide; magnesium; In diethyl ether; for 4.5h; Reflux;

With copper(l) chloride; In diethyl ether; for 0.25h;

In diethyl ether; for 18h; Reflux;

Reference yield: 65.0%

Allyl acetate (591-87-7) + di-hex-1-ynyl-magnesium (91508-87-1) → non-1-en-4-yne (31508-12-0) + 5,7-dodecadiyne (1120-29-2)

Guidance literature:

With bis(acetylacetonate)nickel(II); triphenylphosphine; In tetrahydrofuran; at 50 ℃; for 4h; Product distribution; also with CH₂=CHCH₂X (X = SO₂Ph, OC₃H₅, SC₃H₅);

DOI:10.1007/BF00947846

upstream raw materials:

hexenylmagnesium bromide

allyl bromide

hex-1-yne

Allyl acetate

Downstream raw materials:

(Z)-non-2-en-4-yne

(E)-non-2-en-4-yne

5-decyne

octa-1,7-dien-4-yne