Benzene, (ethynylseleno)-

Base Information

• Chemical Name: Benzene, (ethynylseleno)-
• CAS No.: 65910-12-5
• Molecular Formula: C8H6Se
• Molecular Weight: 181.096
• DSSTox Substance ID: DTXSID80454981
• Nikkaji Number: J582.454K
• Wikidata: Q82276799
• Mol file: 65910-12-5.mol

Synonyms:(phenylseleno)acetylene;Benzene, (ethynylseleno)-;65910-12-5;Ethynylphenyl selenide;DTXSID80454981;InChI=1/C8H6Se/c1-2-9-8-6-4-3-5-7-8/h1,3-7

Chemical Property of Benzene, (ethynylseleno)-

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 181.96347
• Heavy Atom Count: 9
• Complexity: 114

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, (ethynylseleno)-

There total 11 articles about Benzene, (ethynylseleno)- 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: 93.0%

2-methyl-4-(phenylselanyl)but-3-yn-2-ol → (phenylselanyl)acetylene (65910-12-5)

Guidance literature:

With potassium hydroxide; In hexane; at 50 ℃; for 1h; Reagent/catalyst; Temperature; Time; Solvent;

DOI:10.1002/chem.201702493

Reference yield: 89.0%

trimethyl((phenylselanyl)ethynyl)-silane (123775-84-8) → (phenylselanyl)acetylene (65910-12-5)

Guidance literature:

With methanol; potassium carbonate; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1039/c7nj01803g

Reference yield: 82.0%

diphenyl diselenide (1666-13-3) + 2-methyl-but-3-yn-2-ol (115-19-5) → (phenylselanyl)acetylene (65910-12-5)

Guidance literature:

diphenyl diselenide; 2-methyl-but-3-yn-2-ol; With copper(l) iodide; In dimethyl sulfoxide; at 20 ℃; for 48h; Inert atmosphere;

With potassium hydroxide; In hexane; Inert atmosphere;

DOI:10.1021/acs.orglett.8b02544

upstream raw materials:

(Z)-2-(phenylseleno)-1-bromoethylene

diphenyl diselenide

sodium acetylide

Phenylselenyl bromide

Downstream raw materials:

C₁₈H₂₀Se₂

(Z)-hex-1-enylselanylbenzene

(E)-1-(phenylselenenyl)-2-(n-butyl)ethene

((E)-1-Chloro-hex-1-enylselanyl)-benzene