3-(Pyridin-2-yl)prop-2-yn-1-ol

Base Information

• Chemical Name: 3-(Pyridin-2-yl)prop-2-yn-1-ol
• CAS No.: 29768-03-4
• Molecular Formula: C8H7NO
• Molecular Weight: 133.15
• Hs Code.: 2933399090
• European Community (EC) Number: 846-545-5
• DSSTox Substance ID: DTXSID30392884
• Nikkaji Number: J1.871.498A
• Mol file: 29768-03-4.mol

Synonyms:3-(Pyridin-2-yl)prop-2-yn-1-ol;29768-03-4;3-(2-Pyridyl)-2-propyn-1-ol;3-pyridin-2-ylprop-2-yn-1-ol;MFCD00168870;2-Propyn-1-ol, 3-(2-pyridinyl)-;pyridylethynylcarbinol;SCHEMBL3346509;DTXSID30392884;JBTFIWAQYSBSEZ-UHFFFAOYSA-N;3-(2-Pyridyl)-2-propin-1-ol;3-(2-Pyridyl)-2-propyne-1-ol;AKOS005216111;3-(2-pyridyl)prop-2-yn-1-yl alcohol;AS-60147;SY022166;BB 0301028;CS-0131518;EN300-225793;F8885-6318;Z1143356057

Chemical Property of 3-(Pyridin-2-yl)prop-2-yn-1-ol

Chemical Property:

• Melting Point: 85 °C
• Boiling Point: 125 °C(Press: 3 Torr)
• PKA: 12.78±0.10(Predicted)
• PSA: 33.12000
• Density: 1.17±0.1 g/cm3(Predicted)
• LogP: 0.42540
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 133.052763847
• Heavy Atom Count: 10
• Complexity: 153

Purity/Quality:

NLT 98% ^*data from raw suppliers

3-(pyridin-2-yl)prop-2-yn-1-ol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 37/38-41-43
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C#CCO

Technology Process of 3-(Pyridin-2-yl)prop-2-yn-1-ol

There total 12 articles about 3-(Pyridin-2-yl)prop-2-yn-1-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: 97.0%

2-chloropyridine (109-09-1) + propargyl alcohol (107-19-7) → 3-(pyridin-2-yl)prop-2-yn-1-ol (29768-03-4)

Guidance literature:

With copper(l) iodide; potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)); (1RS,2RS,3SR,4SR)-1,2,3,4-tetrakis((diphenylphosphanyl)methyl)cyclopentane; In N,N-dimethyl-formamide; at 100 ℃; for 20h;

DOI:10.1016/j.tetlet.2005.01.044

Reference yield: 96.0%

2-iodopyridine (5029-67-4) + propargyl alcohol (107-19-7) → 3-(pyridin-2-yl)prop-2-yn-1-ol (29768-03-4)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine;

DOI:10.1016/j.jphotochem.2011.06.006

Reference yield: 95.0%

2-bromo-pyridine (109-04-6) + propargyl alcohol (107-19-7) → 3-(pyridin-2-yl)prop-2-yn-1-ol (29768-03-4)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 20 ℃; Inert atmosphere;

DOI:10.1021/ol8008705

upstream raw materials:

2-bromo-pyridine

propargyl alcohol

tetrahydropyranyloxypropargylmagnesium bromide

2-chloropyridine

Downstream raw materials:

(E)-3-(pyridin-2-yl)prop-2-en-1-ol

1-methylindolizine

2-(3-hydroxypropyl)piperidine

2-(3-(3-(4-methoxyphenyl)prop-2-ynyloxy)prop-1-ynyl)pyridine

Refernces

• 1、 Ohsawa,A. et al.. "". . p. 241 - 244. Retrieved 1979.
• 2、 -. "RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF". Paragraph 00389; 00398. . Retrieved 2020/07/06.
• 3、 -. "RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF". Paragraph 00230; 00609. . Retrieved 2020/07/05.