8-Phenoxy-1,6-octadiene

Base Information

• Chemical Name: 8-Phenoxy-1,6-octadiene
• CAS No.: 15972-89-1
• Molecular Formula: C₁₄H₁₈O
• Molecular Weight: 202.296
• DSSTox Substance ID: DTXSID001295642
• Nikkaji Number: J2.115.014B
• Mol file: 15972-89-1.mol

Synonyms:8-Phenoxy-1,6-octadiene;SCHEMBL187388;SCHEMBL187390;DTXSID001295642;[(2E)-2,7-octadienyloxy]benzene;[(2E)-octa-2,7-dienoxy]-benzene;[(2E)-2,7-Octadien-1-yloxy]benzene;15972-89-1

Chemical Property of 8-Phenoxy-1,6-octadiene

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 202.135765193
• Heavy Atom Count: 15
• Complexity: 178

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCCC=CCOC1=CC=CC=C1
• Isomeric SMILES: C=CCCC/C=C/COC1=CC=CC=C1

Technology Process of 8-Phenoxy-1,6-octadiene

There total 3 articles about 8-Phenoxy-1,6-octadiene 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: 93.0%

buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) + phenol (108-95-2,27073-41-2) → (E)-1-phenoxy-2,7-octadiene (15972-89-1)

Guidance literature:

With bis(dibenzylideneacetone)-palladium⁽⁰⁾; In benzene; at 20 ℃; for 72h;

DOI:10.1007/BF00949971

Reference yield:

buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) + phenol (108-95-2,27073-41-2) → (E)-1-phenoxy-2,7-octadiene (15972-89-1) + 3-Phenoxy-1,7-octadien (15972-91-5) + [((2E,6E,10E)-Hexadeca-2,6,10,15-tetraenyl)oxy]-benzene + ((4E,8E)-1-Vinyl-tetradeca-4,8,13-trienyloxy)-benzene

Guidance literature:

With methallyloxytris(dimethylamino)phosphonium hexafluorophosphate; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In toluene; at 80 ℃; for 20h; Product distribution; study of telomerization;

DOI:10.1016/S0022-328X(98)00789-X

Reference yield:

→ (E)-1-phenoxy-2,7-octadiene (15972-89-1)

Guidance literature:

DOI:10.1021/ja01001a089

upstream raw materials:

buta-1,3-diene

phenol

Downstream raw materials:

N-(2E,7-octadienyl)-N-methyl-α-phenyl(n-propyl)amine

2-oxo-8-phenoxy-6E-octene

1,6-octadiene

1,7-Octadiene