1-[(Undec-10-enoyl)oxy]pyridine-2(1H)-thione

Base Information

• Chemical Name: 1-[(Undec-10-enoyl)oxy]pyridine-2(1H)-thione
• CAS No.: 114050-28-1
• Molecular Formula: C₁₆H₂₃NO₂S
• Molecular Weight: 293.43
• DSSTox Substance ID: DTXSID00550934
• Wikidata: Q82430424
• Mol file: 114050-28-1.mol

Synonyms:114050-28-1;1-[(Undec-10-enoyl)oxy]pyridine-2(1H)-thione;(2-sulfanylidenepyridin-1-yl) undec-10-enoate;DTXSID00550934

Chemical Property of 1-[(Undec-10-enoyl)oxy]pyridine-2(1H)-thione

Chemical Property:

• PSA: 63.32000
• LogP: 4.47960
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 293.14495015
• Heavy Atom Count: 20
• Complexity: 388

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCCCCCCCC(=O)ON1C=CC=CC1=S

Technology Process of 1-[(Undec-10-enoyl)oxy]pyridine-2(1H)-thione

There total 3 articles about 1-[(Undec-10-enoyl)oxy]pyridine-2(1H)-thione 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:

1-hydroxy-2(1H)-pyridinethione (1121-30-8) + 10-undecenoic acid (112-38-9) → N-(10-Undecenoyloxy)pyridine-2-thione (114050-28-1)

Guidance literature:

With dicyclohexyl-carbodiimide; In dichloromethane; at 0 - 20 ℃; for 8h; Darkness;

DOI:10.15227/orgsyn.075.0124

Reference yield:

undec-10-enoyl chloride (38460-95-6) + 2-mercaptopyridine-1-oxide sodium salt (3811-73-2) → N-(10-Undecenoyloxy)pyridine-2-thione (114050-28-1)

Guidance literature:

In dichloromethane; Ambient temperature;

DOI:10.1016/S0040-4020(01)86878-2

Reference yield:

1-hydroxy-2(1H)-pyridinethione (1121-30-8) + undec-10-enoyl chloride (38460-95-6) → N-(10-Undecenoyloxy)pyridine-2-thione (114050-28-1)

Guidance literature:

With pyridine;

upstream raw materials:

1-hydroxy-2(1H)-pyridinethione

undec-10-enoyl chloride

2-mercaptopyridine-1-oxide sodium salt

10-undecenoic acid

Downstream raw materials:

eicosa-1,19-diene

2-Dec-9-enylsulfanyl-pyridine

10-bromodec-1-ene