Cyclopentanethiocyanate

Base Information

• Chemical Name: Cyclopentanethiocyanate
• CAS No.: 5263-57-0
• Molecular Formula: C₆H₉NS
• Molecular Weight: 127.21
• Hs Code.: 2930909090
• European Community (EC) Number: 836-196-7
• Mol file: 5263-57-0.mol

Synonyms:Cyclopentanethiocyanate;5263-57-0;cyclopentyl thiocyanate;(cyclopentylsulfanyl)formonitrile;Cyclopentylrhodanid;Thiocyanatocyclopentane;AKOS005255522;CS-0453328

Chemical Property of Cyclopentanethiocyanate

Chemical Property:

• Boiling Point: 84℃/8mm
• PSA: 49.09000
• LogP: 2.14328
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 127.04557046
• Heavy Atom Count: 8
• Complexity: 107

Purity/Quality:

98%min ^*data from raw suppliers

Cyclopentanethiocyanate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)SC#N

Technology Process of Cyclopentanethiocyanate

There total 5 articles about Cyclopentanethiocyanate 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: 75.0%

Cyclopentyl bromide (137-43-9) + potassium thioacyanate (333-20-0) → cyclopentyl thiocyanate (5263-57-0)

Guidance literature:

With β-cyclodextrin immobilized on Dowex resin; In water; at 20 ℃; for 2h;

DOI:10.1002/cjoc.201280003

Reference yield:

cyclopentyl tosylate (3558-06-3) + potassium thioacyanate (333-20-0) → cyclopentyl thiocyanate (5263-57-0)

Guidance literature:

In acetone; Heating;

DOI:10.1021/jo00973a019

Reference yield:

Cyclopentane (287-92-3) + potassium thioacyanate (333-20-0) → cyclopentyl thiocyanate (5263-57-0)

Guidance literature:

Multistep reaction; (i) SCl₂, (irradiation), (ii) /BRN= 3594799/, PE;

upstream raw materials:

Cyclopentyl bromide

potassium thioacyanate

Cyclopentane

potassium cyanide

Downstream raw materials:

cyclopentyl isothiocyanate

Refernces

• 1、 Kiasat, Ali Reza,Zarinderakht, Nasrollah,Sayyahi, Soheil. "β-cyclodextrin immobilized onto dowex resin: A unique microvessel and heterogeneous catalyst in nucleophilic substitution reactions". experimental part. p. 699 - 702. Retrieved 2012/05/05.