2-Methyl-4-[4-(pentyloxy)phenyl]but-3-YN-2-OL

Base Information

Chemical Name:2-Methyl-4-[4-(pentyloxy)phenyl]but-3-YN-2-OL
CAS No.:125151-55-5
Molecular Formula:C16H22O2
Molecular Weight:246.349
Hs Code.:
DSSTox Substance ID:DTXSID80561543
Wikidata:Q82445386
Mol file:125151-55-5.mol

Synonyms:125151-55-5;2-METHYL-4-[4-(PENTYLOXY)PHENYL]BUT-3-YN-2-OL;DTXSID80561543

Suppliers and Price of 2-Methyl-4-[4-(pentyloxy)phenyl]but-3-YN-2-OL

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
Packaging
price

Total 1 raw suppliers

Chemical Property of 2-Methyl-4-[4-(pentyloxy)phenyl]but-3-YN-2-OL

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:246.161979940
Heavy Atom Count:18
Complexity:287

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCOC1=CC=C(C=C1)C#CC(C)(C)O

Technology Process of 2-Methyl-4-[4-(pentyloxy)phenyl]but-3-YN-2-OL

There total 8 articles about 2-Methyl-4-[4-(pentyloxy)phenyl]but-3-YN-2-OL 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:

: 30752-18-2
1-bromo-4-pentyloxybenzene

: 115-19-5
2-methyl-but-3-yn-2-ol

: 125151-55-5
4-(p-pentyloxyphenyl)-2-methyl-3-butyn-2-ol

Guidance literature:: With copper(l) iodide; triphenylphosphine; bis-triphenylphosphine-palladium(II) chloride; In triethylamine; at 90 ℃; Yield given;
DOI:10.1246/bcsj.63.1020

Reference yield:

: 115-19-5
2-methyl-but-3-yn-2-ol

: 116223-55-3
1-iodo-4- (pentyloxy) benzene

: 125151-55-5
4-(p-pentyloxyphenyl)-2-methyl-3-butyn-2-ol

Guidance literature:: With copper(l) iodide; triethylamine; bis-triphenylphosphine-palladium(II) chloride; at 70 ℃;
DOI:10.1080/10587250210534

Reference yield:

: 110-53-2
1-Bromopentane

: 125151-55-5
4-(p-pentyloxyphenyl)-2-methyl-3-butyn-2-ol

Guidance literature:: Multi-step reaction with 2 steps

1: KOH / ethanol; H₂O

2: triphenylphosphine; triethylamine / bis(triphenylphosphine) palladium dichloride; copper(I) iodide / tetrahydrofuran / 2 h / Heating

With potassium hydroxide; triethylamine; triphenylphosphine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In tetrahydrofuran; ethanol; water;
DOI:10.1080/10587250008024803