3-[4-(Heptyloxy)phenyl]-5-(4-heptylphenyl)-1,2,4-oxadiazole

Base Information

Chemical Name:3-[4-(Heptyloxy)phenyl]-5-(4-heptylphenyl)-1,2,4-oxadiazole
CAS No.:5829-13-0
Molecular Formula:C₂₀H₃₂O₄
Molecular Weight:336.472
Hs Code.:
DSSTox Substance ID:DTXSID50389155
Nikkaji Number:J681.641J
Wikidata:Q82184640

Synonyms:STK018131;3-[4-(heptyloxy)phenyl]-5-(4-heptylphenyl)-1,2,4-oxadiazole;5829-13-0;DTXSID50389155;AKOS005378301

Suppliers and Price of 3-[4-(Heptyloxy)phenyl]-5-(4-heptylphenyl)-1,2,4-oxadiazole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of 3-[4-(Heptyloxy)phenyl]-5-(4-heptylphenyl)-1,2,4-oxadiazole

Chemical Property:

Vapor Pressure:7.36E-12mmHg at 25°C
Boiling Point:556.7°C at 760 mmHg
Flash Point:290.5°C
Density:1.016g/cm³
XLogP3:9.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:15
Exact Mass:434.293328459
Heavy Atom Count:32
Complexity:458

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)OCCCCCCC

Technology Process of 3-[4-(Heptyloxy)phenyl]-5-(4-heptylphenyl)-1,2,4-oxadiazole

There total 3 articles about 3-[4-(Heptyloxy)phenyl]-5-(4-heptylphenyl)-1,2,4-oxadiazole 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: 76.0%

: 2049-80-1
(2-propenyl)propanedioic acid diethyl ester

: (E)-3,7-dimethyl-2,6-octadienyl N-phenylformimidate

: 5829-13-0
diethyl (E)-2-(3,7-dimethyl-2,6-octadienyl)-2-(2-propenyl)malonate

Guidance literature:: With 1,2-bis-(diphenylphosphino)ethane; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In dimethyl sulfoxide; at 85 ℃; for 2h;
DOI:10.1246/bcsj.62.239

Reference yield:

: 105-53-3
diethyl malonate

: 5829-13-0
diethyl (E)-2-(3,7-dimethyl-2,6-octadienyl)-2-(2-propenyl)malonate

Guidance literature:: Multi-step reaction with 2 steps

1: 55 percent / bis(dibenzylideneacetone)palladium, 1,2-bis(diphenylphosphino)ethane / dimethylformamide / 4 h / Ambient temperature

2: 76 percent / bis(dibenzylideneacetone)palladium, 1,2-bis(diphenylphosphino)ethane / dimethylsulfoxide / 2 h / 85 °C

With 1,2-bis-(diphenylphosphino)ethane; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In dimethyl sulfoxide; N,N-dimethyl-formamide;
DOI:10.1246/bcsj.62.239