4-(1-Octynyl)benzaldehyde

Base Information

• Chemical Name: 4-(1-Octynyl)benzaldehyde
• CAS No.: 99209-26-4
• Molecular Formula: C15H18O
• Molecular Weight: 214.307
• DSSTox Substance ID: DTXSID70546783
• Nikkaji Number: J1.337.480E
• Wikidata: Q82424693
• Mol file: 99209-26-4.mol

Synonyms:4-(1-octynyl)benzaldehyde;4-oct-1-ynylbenzaldehyde;99209-26-4;SCHEMBL1854038;DTXSID70546783;VHCWNODIVKXJOG-UHFFFAOYSA-N;4-(OCT-1-YN-1-YL)BENZALDEHYDE

Chemical Property of 4-(1-Octynyl)benzaldehyde

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 214.135765193
• Heavy Atom Count: 16
• Complexity: 247

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC#CC1=CC=C(C=C1)C=O

Technology Process of 4-(1-Octynyl)benzaldehyde

There total 5 articles about 4-(1-Octynyl)benzaldehyde 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: 98.0%

n-octyne (629-05-0) + 4-bromo-benzaldehyde (1122-91-4) → 4-(oct-1-yn-1-yl)benzaldehyde (99209-26-4)

Guidance literature:

With copper(l) iodide; triethylamine; bis-triphenylphosphine-palladium(II) chloride; at 50 ℃; for 12h;

DOI:10.1016/j.tet.2005.12.046

Reference yield: 85.0%

n-octyne (629-05-0) + p-(iodophenyl)carboxaldehyde (15164-44-0) → 4-(oct-1-yn-1-yl)benzaldehyde (99209-26-4)

Guidance literature:

With C₂₀H₂₉Cl₂N₅O₂Pd; potassium carbonate; In ethanol; at 80 ℃; for 2h;

DOI:10.1016/j.tetlet.2014.02.044

Reference yield: 83.0%

→ 4-(oct-1-yn-1-yl)benzaldehyde (99209-26-4)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 50 ℃; Inert atmosphere;

upstream raw materials:

n-octyne

4-bromo-benzaldehyde

p-(iodophenyl)carboxaldehyde

tributyl(oct-1-yn-1-yl)stannane

Downstream raw materials:

4-octylbenzaldehyde

4-(1'-n-octynyl)benzyl alcohol

3-nitro-4-octylbenzaldehyde

C₃₈H₆₂N₂