2-chloro-5-(phenylethynyl)Pyridine

Base Information

Chemical Name:2-chloro-5-(phenylethynyl)Pyridine
CAS No.:87148-60-5
Molecular Formula:C13H8ClN
Molecular Weight:213.666
Hs Code.:
DSSTox Substance ID:DTXSID90460174
Wikidata:Q82284128
Mol file:87148-60-5.mol

Synonyms:2-chloro-5-(phenylethynyl)Pyridine;87148-60-5;2-chloro-5-(2-phenylethynyl)pyridine;Pyridine, 2-chloro-5-(phenylethynyl)-;SCHEMBL10847901;DTXSID90460174;FT-0754672

Suppliers and Price of 2-chloro-5-(phenylethynyl)Pyridine

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 6 raw suppliers

Chemical Property of 2-chloro-5-(phenylethynyl)Pyridine

Chemical Property:

PSA：12.89000
LogP:3.13480
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:213.0345270
Heavy Atom Count:15
Complexity:256

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C#CC2=CN=C(C=C2)Cl

Technology Process of 2-chloro-5-(phenylethynyl)Pyridine

There total 5 articles about 2-chloro-5-(phenylethynyl)Pyridine 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: 88.0%

: 53939-30-3
5-bromo-2-chloropyridine

: 536-74-3
phenylacetylene

: 87148-60-5
2-chloro-5-(2-phenylethynyl)pyridine

Guidance literature:: With ?di-tert-butyl(2,2-diphenyl-1-methyl-1-cyclopropyl)phosphine; potassium phosphate monohydrate; bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; In water; at 45 ℃; for 5h; Inert atmosphere;
DOI:10.1039/c8sc05618h

Reference yield: 72.0%

: 69045-79-0
2-choro-5-iodopyridine

: 536-74-3
phenylacetylene

: 87148-60-5
2-chloro-5-(2-phenylethynyl)pyridine

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; at 55 ℃; for 3h; Ionic liquid; Green chemistry;
DOI:10.3762/bjoc.15.284

Reference yield:

: 69045-79-0
2-choro-5-iodopyridine

: 87148-60-5
2-chloro-5-(2-phenylethynyl)pyridine

Guidance literature:: Multi-step reaction with 3 steps

1: 94 percent / Pd(PPh₃)2Cl₂; CuI; Et₃N / 48 h / 20 °C

2: 95 percent / aq. NaOH / methanol; tetrahydrofuran / 24 h / 20 °C

3: Pd(PPh₃)2Cl₂; CuI / triethylamine

With bis-triphenylphosphine-palladium(II) chloride; sodium hydroxide; copper(l) iodide; triethylamine; In tetrahydrofuran; methanol; triethylamine; 1: Condensation / 2: Hydrolysis / 3: Condensation;
DOI:10.1021/jo990665n