5-Bromo-2-(hex-1-YN-1-YL)pyridine

Base Information

Chemical Name:5-Bromo-2-(hex-1-YN-1-YL)pyridine
CAS No.:111770-81-1
Molecular Formula:C11H12BrN
Molecular Weight:238.127
Hs Code.:
DSSTox Substance ID:DTXSID80553706
Nikkaji Number:J1.733.731I
Wikidata:Q82434363
Mol file:111770-81-1.mol

Synonyms:111770-81-1;5-BROMO-2-(HEX-1-YN-1-YL)PYRIDINE;5-bromo-2-hex-1-ynylpyridine;SCHEMBL14127796;COXUWNBTCARAHW-UHFFFAOYSA-;DTXSID80553706;COXUWNBTCARAHW-UHFFFAOYSA-N;3-brorno-6-(hex-1-ynyl)-pyridine;5-Bromo-2-(1-hexyn-1-yl)pyridine;InChI=1/C11H12BrN/c1-2-3-4-5-6-11-8-7-10(12)9-13-11/h7-9H,2-4H2,1H3

Suppliers and Price of 5-Bromo-2-(hex-1-YN-1-YL)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 2 raw suppliers

Chemical Property of 5-Bromo-2-(hex-1-YN-1-YL)pyridine

Chemical Property:

Boiling Point:90-100 °C(Press: 0.01 Torr)
PKA:0.31±0.29(Predicted)
PSA：12.89000
Density:1.33±0.1 g/cm3(Predicted)
LogP:3.38580
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:237.01531
Heavy Atom Count:13
Complexity:201

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC#CC1=NC=C(C=C1)Br

Technology Process of 5-Bromo-2-(hex-1-YN-1-YL)pyridine

There total 4 articles about 5-Bromo-2-(hex-1-YN-1-YL)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: 92.0%

: 624-28-2
2,5-dibromopyridine

: 693-02-7
hex-1-yne

: 111770-81-1
5-bromo-2-(hex-1-yn-1-yl)pyridine

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 20 ℃; for 1h;
DOI:10.1021/jo0205255

Reference yield: 77.0%

: 77992-44-0
5-bromo-2-hydrazinylpyridine

: 693-02-7
hex-1-yne

: 111770-81-1
5-bromo-2-(hex-1-yn-1-yl)pyridine

Guidance literature:: With oxygen; potassium carbonate; copper(l) chloride; In methanol; at 25 - 28 ℃; for 12h; Irradiation; Green chemistry;
DOI:10.1039/c8gc01180j

Reference yield:

: 223463-13-6
2-iodo-5-bromopyridine

: 693-02-7
hex-1-yne

: 111770-81-1
5-bromo-2-(hex-1-yn-1-yl)pyridine

Guidance literature:: With triethylamine; copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In dichloromethane; at 60 ℃; for 7h;
DOI:10.1021/jm070210n