Copper, [(4-bromophenyl)ethynyl]-

Base Information

• Chemical Name: Copper, [(4-bromophenyl)ethynyl]-
• CAS No.: 118520-70-0
• Molecular Formula: C8H4BrCu
• Molecular Weight: 243.57
• DSSTox Substance ID: DTXSID60460949
• Mol file: 118520-70-0.mol

Synonyms:Copper, [(4-bromophenyl)ethynyl]-;DTXSID60460949;118520-70-0

Chemical Property of Copper, [(4-bromophenyl)ethynyl]-

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 241.87923
• Heavy Atom Count: 10
• Complexity: 123

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [C-]#CC1=CC=C(C=C1)Br.[Cu+]

Technology Process of Copper, [(4-bromophenyl)ethynyl]-

There total 4 articles about Copper, [(4-bromophenyl)ethynyl]- 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: 91.0%

copper(l) iodide (7681-65-4) + 4-bromo-1-ethynylbenzene (766-96-1) → 1-copper(I) (4-bromophenyl)ethyne (118520-70-0)

Guidance literature:

With ammonium hydroxide; In ethanol; at 20 ℃; Inert atmosphere;

DOI:10.1055/s-0033-1341025

Reference yield:

4-bromo-1-ethynylbenzene (766-96-1) + copper(ll) sulfate pentahydrate → 1-copper(I) (4-bromophenyl)ethyne (118520-70-0)

Guidance literature:

copper(ll) sulfate pentahydrate; With ammonium hydroxide; hydroxylamine hydrochloride; In water; for 0.166667h; Cooling with ice; Inert atmosphere;

4-bromo-1-ethynylbenzene; In ethanol; water; at 20 ℃; Inert atmosphere;

DOI:10.1021/ol503008t

Reference yield:

copper(l) iodide (7681-65-4) → 1-copper(I) (4-bromophenyl)ethyne (118520-70-0)

Guidance literature:

With ammonium hydroxide; In ethanol; Inert atmosphere;

DOI:10.1002/chem.201702028

upstream raw materials:

copper(l) iodide

4-bromo-1-ethynylbenzene

Downstream raw materials:

1-(4-bromophenyl)-2-(4-hydroxyphenyl)acetylene

3-(4-bromophenyl)-1-phenylprop-2-yn-1-one

1-(4-bromophenylethynyl)pyrrolidin-2-one

Refernces

• 1、 Zhang, Yanbin,Xu, Jincheng,Guo, Hao. "Light-Induced Intramolecular Iodine-Atom Transfer Radical Addition of Alkyne: An Approach from Aryl Iodide to Alkenyl Iodide". . p. 9133 - 9137. Retrieved 2019.
• 2、 Theunissen, Cedric,Lecomte, Morgan,Jouvin, Kevin,Laouiti, Anouar,Guissart, Celine,Heimburger, Jeremy,Loire, Estelle,Evano, Gwilherm. "Convenient and practical alkynylation of heteronucleophiles with copper acetylides". . p. 1157 - 1166. Retrieved 2014/05/20.