alpha-Methyl-alpha-(phenylethynyl)-2-pyridinemethanol

Base Information

Chemical Name:alpha-Methyl-alpha-(phenylethynyl)-2-pyridinemethanol
CAS No.:55690-01-2
Molecular Formula:C15H13NO
Molecular Weight:223.274
Hs Code.:
DSSTox Substance ID:DTXSID90971053

Synonyms:BRN 1459594;55690-01-2;alpha-Methyl-alpha-(phenylethynyl)-2-pyridinemethanol;2-Pyridinemethanol, alpha-methyl-alpha-(phenylethynyl)-;5-21-04-00114 (Beilstein Handbook Reference);DTXSID90971053;LS-131743;4-PHENYL-2-(PYRIDIN-2-YL)BUT-3-YN-2-OL

Suppliers and Price of alpha-Methyl-alpha-(phenylethynyl)-2-pyridinemethanol

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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price

Total 1 raw suppliers

Chemical Property of alpha-Methyl-alpha-(phenylethynyl)-2-pyridinemethanol

Chemical Property:

Vapor Pressure:1.08E-06mmHg at 25°C
Boiling Point:387.4°C at 760 mmHg
Flash Point:188.1°C
Density:1.17g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:223.099714038
Heavy Atom Count:17
Complexity:307

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C#CC1=CC=CC=C1)(C2=CC=CC=N2)O

Technology Process of alpha-Methyl-alpha-(phenylethynyl)-2-pyridinemethanol

There total 4 articles about alpha-Methyl-alpha-(phenylethynyl)-2-pyridinemethanol 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: 98.0%

: 1122-62-9
2-acetylpyridine

: 536-74-3
phenylacetylene

: 55690-01-2
4-phenyl-2-(pyridine-2-yl)but-3-yn-2-ol

Guidance literature:: phenylacetylene; With n-butyllithium; In hexanes; diethyl ether; at 0 ℃; for 0.5h; Inert atmosphere;

2-acetylpyridine; With lithium bromide; In hexanes; diethyl ether; benzene; at 0 - 20 ℃; for 12h; Inert atmosphere;

With water; ammonium chloride; In hexanes; diethyl ether; benzene; at 20 ℃; Inert atmosphere;
DOI:10.1039/c1ob06423a

Reference yield: 33.0%

: 1074-75-5
(R,S)-2-(pyridin-2-yl)but-3-yn-2-ol

: 591-50-4
iodobenzene

: 55690-01-2
4-phenyl-2-(pyridine-2-yl)but-3-yn-2-ol

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 55 ℃;
DOI:10.1016/j.tet.2012.04.091

Reference yield:

: 1122-62-9
2-acetylpyridine

: 55690-01-2
4-phenyl-2-(pyridine-2-yl)but-3-yn-2-ol

Guidance literature:: Multi-step reaction with 2 steps

1: tetrahydrofuran / 0.25 h / -78 °C

2: copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride; triethylamine / 55 °C

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In tetrahydrofuran; 2: Sonogashira cross-coupling;
DOI:10.1016/j.tet.2012.04.091