3-Butyn-2-ol, 2-methyl-4-(4-quinolinyl)-

Base Information

Chemical Name:3-Butyn-2-ol, 2-methyl-4-(4-quinolinyl)-
CAS No.:831235-65-5
Molecular Formula:C₁₄H₁₃NO
Molecular Weight:211.263
Hs Code.:2933499090
DSSTox Substance ID:DTXSID10479127
Wikidata:Q82313032
Mol file:831235-65-5.mol

Synonyms:831235-65-5;3-Butyn-2-ol, 2-methyl-4-(4-quinolinyl)-;2-Methyl-4-(quinolin-4-yl)but-3-yn-2-ol;2-methyl-4-quinolin-4-ylbut-3-yn-2-ol;DTXSID10479127

Suppliers and Price of 3-Butyn-2-ol, 2-methyl-4-(4-quinolinyl)-

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 2 raw suppliers

Chemical Property of 3-Butyn-2-ol, 2-methyl-4-(4-quinolinyl)-

Chemical Property:

PSA：33.12000
LogP:2.35720
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:211.099714038
Heavy Atom Count:16
Complexity:309

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:CC(C)(C#CC1=CC=NC2=CC=CC=C12)O

Technology Process of 3-Butyn-2-ol, 2-methyl-4-(4-quinolinyl)-

There total 2 articles about 3-Butyn-2-ol, 2-methyl-4-(4-quinolinyl)- 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: 86.0%

: 611-35-8
4-chloroquinoline

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

: 831235-65-5
2-methyl-4-(4'-quinolyl)-but-3-yn-2-ol

Guidance literature:: With copper (I) iodide; diethylamine; bis-triphenylphosphine-palladium(II) chloride; for 48h; Heating;
DOI:10.1016/j.tet.2005.07.043

Reference yield:

: 1613-37-2
Quinoline N-oxide

: 831235-65-5
2-methyl-4-(4'-quinolyl)-but-3-yn-2-ol

Guidance literature:: Multi-step reaction with 2 steps

1: 32 percent / POCl₃ / 3 h / Heating

2: 86 percent / Et₂NH; Cu₂I₂ / PdCl₂(PPh₃)2 / 48 h / Heating

With copper (I) iodide; diethylamine; trichlorophosphate; bis-triphenylphosphine-palladium(II) chloride; 2: Sonogashira reaction;
DOI:10.1016/j.tet.2005.07.043