1-(Decyloxy)-4-ethynylbenzene

Base Information

• Chemical Name: 1-(Decyloxy)-4-ethynylbenzene
• CAS No.: 125151-62-4
• Molecular Formula: C19H28 O
• Molecular Weight: 258.39844
• DSSTox Substance ID: DTXSID60561546
• Nikkaji Number: J1.195.445F
• Wikidata: Q82445390
• Mol file: 125151-62-4.mol

Synonyms:1-decoxy-4-ethynylbenzene;125151-62-4;1-(decyloxy)-4-ethynylbenzene;1-DECYLOXY-4-ETHYNYL-BENZENE;1-decyloxy-4-ethynylbenzene;SCHEMBL4748828;DTXSID60561546

Chemical Property of 1-(Decyloxy)-4-ethynylbenzene

Chemical Property:

• Vapor Pressure: 7E-05mmHg at 25°C
• Refractive Index: 1.501
• Boiling Point: 354.1°C at 760 mmHg
• Flash Point: 165°C
• PSA: 9.23000
• Density: 0.93g/cm³
• LogP: 5.18740
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 258.198365449
• Heavy Atom Count: 19
• Complexity: 242

Purity/Quality:

97% ^*data from raw suppliers

1-DECYLOXY-4-ETHYNYL-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCOC1=CC=C(C=C1)C#C

Technology Process of 1-(Decyloxy)-4-ethynylbenzene

There total 1 articles about 1-(Decyloxy)-4-ethynylbenzene 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:

1-bromo-4-(undecyloxy)benzene (105100-91-2) → p-undecyloxyphenylacetylene (125151-62-4)

Guidance literature:

Multi-step reaction with 2 steps

1: copper(I)iodide, triphenylphosphine / dichlorobis(triphenylphosphine)palladium / triethylamine / 90 °C

2: sodium hydride / toluene; paraffin / 110 °C

With copper(l) iodide; sodium hydride; triphenylphosphine; bis-triphenylphosphine-palladium(II) chloride; In triethylamine; toluene; paraffin;

DOI:10.1246/bcsj.63.1020

Reference yield:

(S)-(+)-2-methylbutyl 4-bromobenzoate (132247-94-0) + p-undecyloxyphenylacetylene (125151-62-4) → 4-(4-Undecyloxy-phenylethynyl)-benzoic acid (S)-2-methyl-butyl ester (128345-28-8)

Guidance literature:

With copper(l) iodide; triphenylphosphine; bis-triphenylphosphine-palladium(II) chloride; In triethylamine; at 80 ℃;

DOI:10.1246/bcsj.63.1020

upstream raw materials:

1-bromo-4-(undecyloxy)benzene

Downstream raw materials:

4-(4-Undecyloxy-phenylethynyl)-benzoic acid (S)-2-methyl-butyl ester