[(Butylselanyl)ethynyl]benzene

Base Information

• Chemical Name: [(Butylselanyl)ethynyl]benzene
• CAS No.: 105797-57-7
• Molecular Formula: C12H14Se
• Molecular Weight: 237.203
• DSSTox Substance ID: DTXSID90556965
• Nikkaji Number: J939.696I
• Wikidata: Q82438698
• Mol file: 105797-57-7.mol

Synonyms:105797-57-7;[(Butylselanyl)ethynyl]benzene;butyl(phenylethynyl)selenide;DTXSID90556965

Chemical Property of [(Butylselanyl)ethynyl]benzene

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 238.02607
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[Se]C#CC1=CC=CC=C1

Technology Process of [(Butylselanyl)ethynyl]benzene

There total 11 articles about [(Butylselanyl)ethynyl]benzene 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: 90.0%

lithium n-butylselenolate (55163-69-4) + 1-Bromo-2-phenylacetylene (932-87-6) → 1-butylseleno-2-phenylacetylene (105797-57-7)

Guidance literature:

In N,N-dimethyl-formamide; 0 deg C -> room temperature, 1 h;

Reference yield: 89.0%

1-bromo-butane (109-65-9) + phenylacetylene (536-74-3) → 1-butylseleno-2-phenylacetylene (105797-57-7)

Guidance literature:

phenylacetylene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

With selenium; In tetrahydrofuran; hexane; at 0 ℃; for 5h; Inert atmosphere; Reflux;

1-bromo-butane; In tetrahydrofuran; hexane; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1055/s-0036-1589062

Reference yield: 79.0%

dibutyl diselenide (20333-40-8) + phenylacetylene (536-74-3) → 1-butylseleno-2-phenylacetylene (105797-57-7)

Guidance literature:

With copper(II) oxide; potassium carbonate; In dimethyl sulfoxide; at 80 ℃; for 14h;

DOI:10.1016/j.tet.2012.08.086

upstream raw materials:

n-Butyl chloride

lithium 2-phenylethynylselenolate

1-bromo-butane

phenylacetylene

Downstream raw materials:

2-phenylethynyl ethyl selenide

(Z)-1-butylseleno-2-phenylethene

[MoCl₄(S(C₂H₅)2)(C₆H₅CCSeC₄H₉)]

1-chloro-3-phenyl-2-butylselenylnaphthalene