Carbonothioic acid, O-cyclohexyl S-2-pyridinyl ester

Base Information

• Chemical Name: Carbonothioic acid, O-cyclohexyl S-2-pyridinyl ester
• CAS No.: 133616-21-4
• Molecular Formula: C₁₂H₁₅NO₂S
• Molecular Weight: 237.323
• DSSTox Substance ID: DTXSID401219212
• Nikkaji Number: J355.757J
• Mol file: 133616-21-4.mol

Synonyms:DTXSID401219212;133616-21-4;Carbonothioic acid, O-cyclohexyl S-2-pyridinyl ester

Chemical Property of Carbonothioic acid, O-cyclohexyl S-2-pyridinyl ester

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 237.08234989
• Heavy Atom Count: 16
• Complexity: 229

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)OC(=O)SC2=CC=CC=N2

Technology Process of Carbonothioic acid, O-cyclohexyl S-2-pyridinyl ester

There total 2 articles about Carbonothioic acid, O-cyclohexyl S-2-pyridinyl 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:

cyclohexanol (108-93-0) → Thiocarbonic acid O-cyclohexyl ester S-pyridin-2-yl ester (133616-21-4)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂ / Ambient temperature

2: 1) pyridine / 1) benzene, 0 deg C, 30 min, 2) reflux, 60 min

With pyridine; In dichloromethane;

DOI:10.1246/bcsj.64.57

Reference yield:

1-hydroxy-2(1H)-pyridinethione (1121-30-8) + oxalic acid-chloride cyclohexyl ester (54166-92-6) → Thiocarbonic acid O-cyclohexyl ester S-pyridin-2-yl ester (133616-21-4) + 2-(cyclohexylsulfanyl)pyridine (119520-56-8)

Guidance literature:

With pyridine; Yield given. Multistep reaction. Yields of byproduct given; 1) benzene, 0 deg C, 30 min, 2) reflux, 60 min;

DOI:10.1246/bcsj.64.57

upstream raw materials:

1-hydroxy-2(1H)-pyridinethione

oxalic acid-chloride cyclohexyl ester

cyclohexanol