Selenocyanic acid, (4-fluorophenyl)methyl ester

Base Information

• Chemical Name: Selenocyanic acid, (4-fluorophenyl)methyl ester
• CAS No.: 57239-46-0
• Molecular Formula: C8H6FNSe
• Molecular Weight: 214.101
• DSSTox Substance ID: DTXSID60373101
• Wikidata: Q82161259

Synonyms:57239-46-0;Selenocyanic acid, (4-fluorophenyl)methyl ester;DTXSID60373101;AKOS004910003

Chemical Property of Selenocyanic acid, (4-fluorophenyl)methyl ester

Chemical Property:

• PSA: 23.79000
• LogP: 1.77738
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 214.96495
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C[Se]C#N)F

Technology Process of Selenocyanic acid, (4-fluorophenyl)methyl ester

There total 3 articles about Selenocyanic acid, (4-fluorophenyl)methyl ester 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: 95.0%

1-n-butyl-3-methylimidazolium selenocyanate + 4-Fluorobenzyl bromide (459-46-1) → 1-fluoro-4-(selenocyanatomethyl)benzene (57239-46-0)

Guidance literature:

at 90 ℃; for 0.5h; Microwave irradiation;

DOI:10.1016/j.tet.2021.132507

Reference yield: 83.45%

potassium selenocyanate (3425-46-5) + 1-chloromethyl-4-fluorobenzene (352-11-4) → 1-fluoro-4-(selenocyanatomethyl)benzene (57239-46-0)

Guidance literature:

In ethanol; for 6h; Reflux;

DOI:10.1039/C9NJ00563C

Reference yield:

→ 1-fluoro-4-(selenocyanatomethyl)benzene (57239-46-0)

Guidance literature:

4-Fluorbenzylchlorid, KSeCN, MeOH oder EtOH;

upstream raw materials:

potassium selenocyanate

1-chloromethyl-4-fluorobenzene

4-Fluorobenzyl bromide

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