Methyl6-(5-bromo-2-pyridinyl)-5-hexynoate

Base Information

Chemical Name:Methyl6-(5-bromo-2-pyridinyl)-5-hexynoate
CAS No.:111770-83-3
Molecular Formula:C12H12BrNO2
Molecular Weight:282.13300
Hs Code.:
DSSTox Substance ID:DTXSID401264936
Mol file:111770-83-3.mol

Synonyms:methyl6-(5-bromo-2-pyridinyl)-5-hexynoate;111770-83-3;methyl 6-(5-bromopyridin-2-yl)hex-5-ynoate;DTXSID401264936;Methyl 6-(5-bromo-2-pyridinyl)-5-hexynoate

Suppliers and Price of Methyl6-(5-bromo-2-pyridinyl)-5-hexynoate

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 Methyl6-(5-bromo-2-pyridinyl)-5-hexynoate

Chemical Property:

Boiling Point:105-110 °C(Press: 0.05 Torr)
PKA:0.08±0.29(Predicted)
PSA：39.19000
Density:1.42±0.1 g/cm3(Predicted)
LogP:2.53890
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:281.00514
Heavy Atom Count:16
Complexity:292

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)CCCC#CC1=NC=C(C=C1)Br

Technology Process of Methyl6-(5-bromo-2-pyridinyl)-5-hexynoate

There total 1 articles about Methyl6-(5-bromo-2-pyridinyl)-5-hexynoate 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: 74.0%

: 624-28-2
2,5-dibromopyridine

: 77758-51-1
methyl hex-5-ynoate

: 111770-83-3
methyl6-(5-bromo-2-pyridinyl)-5-hexynoate

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In triethylamine; 1.) 0 deg C, 1 h, 2.) RT, 1 h;
DOI:10.1021/jo00237a029