Selenocyanic acid, butyl ester

Base Information

• Chemical Name: Selenocyanic acid, butyl ester
• CAS No.: 4700-45-2
• Molecular Formula: C5H9NSe
• Molecular Weight: 162.093
• DSSTox Substance ID: DTXSID90446731
• Nikkaji Number: J834.451E
• Mol file: 4700-45-2.mol

Synonyms:Butyl selenocyanate;Selenocyanic acid, butyl ester;Butylselenocyanat;4700-45-2;DTXSID90446731

Chemical Property of Selenocyanic acid, butyl ester

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 162.99002
• Heavy Atom Count: 7
• Complexity: 71.4

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[Se]C#N

Technology Process of Selenocyanic acid, butyl ester

There total 1 articles about Selenocyanic acid, butyl 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:

potassium selenocyanate (3425-46-5) + tributylsulfonium perchlorate → Dibutyl sulfide (544-40-1) + n-butyl selenocyanate (4700-45-2)

Guidance literature:

In gas; at 325 ℃;

DOI:10.1021/ac00273a036

Reference yield:

n-butyl selenocyanate (4700-45-2) + benzyl bromide (100-39-0) → Benzyl n-butyl selenide (32343-96-7)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) DMF, 75 deg C, 0.3 h, 2.) DMF, 20 deg C, 2 h;

DOI:10.1016/S0040-4020(97)00548-6

upstream raw materials:

potassium selenocyanate

Downstream raw materials:

Benzyl n-butyl selenide

Refernces