Ethynyl-copper

Base Information

• Chemical Name: Ethynyl-copper
• CAS No.: 16753-36-9
• Molecular Formula: C2H Cu
• Molecular Weight: 88.5759
• DSSTox Substance ID: DTXSID701311447
• Mol file: 16753-36-9.mol

Synonyms:ethynyl-copper;Copper acetylide (Cu(C2H));DTXSID701311447;16753-36-9

Chemical Property of Ethynyl-copper

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 87.937422
• Heavy Atom Count: 3
• Complexity: 10.8

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#[C-].[Cu+]

Technology Process of Ethynyl-copper

There total 3 articles about Ethynyl-copper 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: 58.0%

2-Phenyl-3-butyn-2-ol (127-66-2) → 2-phenylbut-3-en-2-ol (6051-52-1) + copper(I) monacetylide (16753-36-9) + acetophenone (98-86-2)

Guidance literature:

With hydrido(triphenylphosphine)copper(I) hexamer; water; In benzene; at 80 ℃; for 1h; Yields of byproduct given;

DOI:10.1016/S0040-4039(00)97371-4

Reference yield:

rac-2-(4-methoxyphenyl)but-3-yn-2-ol (15960-71-1) → 3-hydroxy-3-(4-methoxyphenyl)-but-1-ene (31254-20-3) + copper(I) monacetylide (16753-36-9) + 1-(4-methoxyphenyl)ethanone (100-06-1)

Guidance literature:

With hydrido(triphenylphosphine)copper(I) hexamer; In benzene; at 80 ℃; Yield given. Yields of byproduct given;

DOI:10.1016/S0040-4039(00)97371-4

Reference yield:

2-(4-bromophenyl)but-3-yn-2-ol (115919-18-1) → copper(I) monacetylide (16753-36-9) + 2-(4-bromophenyl)but-3-en-2-ol (51431-56-2) + para-bromoacetophenone (99-90-1)

Guidance literature:

With hydrido(triphenylphosphine)copper(I) hexamer; In benzene; at 80 ℃; Yield given. Yields of byproduct given;

DOI:10.1016/S0040-4039(00)97371-4

upstream raw materials:

2-Phenyl-3-butyn-2-ol

rac-2-(4-methoxyphenyl)but-3-yn-2-ol

2-(4-bromophenyl)but-3-yn-2-ol

Downstream raw materials:

5-aminoisophthalonitrile

Refernces