Benzene, [(4,4-diethoxy-2-butynyl)seleno]-

Base Information

• Chemical Name: Benzene, [(4,4-diethoxy-2-butynyl)seleno]-
• CAS No.: 647009-99-2
• Molecular Formula: C₁₄H₁₈O₂Se
• Molecular Weight: 297.256
• DSSTox Substance ID: DTXSID50459584
• Nikkaji Number: J1.968.673F
• Wikidata: Q82283388

Synonyms:Benzene, [(4,4-diethoxy-2-butynyl)seleno]-;647009-99-2;DTXSID50459584;4-(Phenylseleno)-2-butyne-1-al diethyl acetal

Chemical Property of Benzene, [(4,4-diethoxy-2-butynyl)seleno]-

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 298.04720
• Heavy Atom Count: 17
• Complexity: 241

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C#CC[Se]C1=CC=CC=C1)OCC

Technology Process of Benzene, [(4,4-diethoxy-2-butynyl)seleno]-

There total 1 articles about Benzene, [(4,4-diethoxy-2-butynyl)seleno]- 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:

Benzeneselenol (645-96-5) → 4-benzeneselenenylbut-2-ynal diethyl acetal (647009-99-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: Et₃N / diethyl ether / 2 h / 20 °C

2.1: EtMgBr / diethyl ether / 0.5 h / Heating

2.2: diethyl ether / 2 h / Heating

With ethylmagnesium bromide; triethylamine; In diethyl ether;

DOI:10.1248/cpb.51.1405

Reference yield:

4-benzeneselenenylbut-2-ynal diethyl acetal (647009-99-2) → (4,4-diethoxy-buta-1,2-dienylselanyl)-benzene

Guidance literature:

With sodium ethanolate; In ethanol; at 20 ℃; for 0.5h;

DOI:10.1248/cpb.51.1405

Reference yield:

4-benzeneselenenylbut-2-ynal diethyl acetal (647009-99-2) → (3E)-4-(benzeneselenenyl)-3-(methanesulfenyl)but-3-enal diethyl acetal

Guidance literature:

Multi-step reaction with 2 steps

1: EtONa / ethanol / 0.5 h / 20 °C

2: H₂O / ethanol / 4 h / Heating

With water; sodium ethanolate; In ethanol;

DOI:10.1248/cpb.51.1405

upstream raw materials:

Benzeneselenol

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