N-(5-((2-methylene-3-(((octadecylamino)carbonyl)oxy)propoxy)carbonyl)pentyl)pyridinium

Base Information

• Chemical Name: N-(5-((2-methylene-3-(((octadecylamino)carbonyl)oxy)propoxy)carbonyl)pentyl)pyridinium
• CAS No.: 111878-48-9
• Molecular Formula: Br*C₃₄H₅₉N₂O₄
• Molecular Weight: 639.757
• Mol file: 111878-48-9.mol

Synonyms:Pyridinium,1-[6-[[2-[[[(octadecylamino)carbonyl]oxy]methyl]-2-propenyl]oxy]-6-oxohexyl]-,bromide (9CI)

Chemical Property of N-(5-((2-methylene-3-(((octadecylamino)carbonyl)oxy)propoxy)carbonyl)pentyl)pyridinium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 72.00000
• Density: g/cm³
• LogP: 8.82600

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of N-(5-((2-methylene-3-(((octadecylamino)carbonyl)oxy)propoxy)carbonyl)pentyl)pyridinium

There total 3 articles about N-(5-((2-methylene-3-(((octadecylamino)carbonyl)oxy)propoxy)carbonyl)pentyl)pyridinium 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: 84.0%

pyridine (110-86-1) + 2-methylene-3-<<(octadecylamino)carbonyl>oxy>propyl 6-bromohexanoate (111879-32-4) → N-{5-[(2-methylene-3-{[(octadecylamino)carbonyl]oxy}propoxy)carbonyl]pentyl}pyridinium bromide (111878-48-9)

Guidance literature:

at 100 ℃; for 7h;

DOI:10.1021/jm00401a017

Reference yield:

octadecyl isocyanate (112-96-9) → N-{5-[(2-methylene-3-{[(octadecylamino)carbonyl]oxy}propoxy)carbonyl]pentyl}pyridinium bromide (111878-48-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 42 percent / pyridine / 24 h / 22 °C

2: 84 percent / DCC, 4-DMAP / CH₂Cl₂ / 20 h / 22 °C

3: 84 percent / 7 h / 100 °C

With dmap; dicyclohexyl-carbodiimide; In pyridine; dichloromethane;

DOI:10.1021/jm00401a017

Reference yield:

3-hydroxy-2-methylenepropyl N-octadecylcarbamate (111879-26-6) → N-{5-[(2-methylene-3-{[(octadecylamino)carbonyl]oxy}propoxy)carbonyl]pentyl}pyridinium bromide (111878-48-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / DCC, 4-DMAP / CH₂Cl₂ / 20 h / 22 °C

2: 84 percent / 7 h / 100 °C

With dmap; dicyclohexyl-carbodiimide; In dichloromethane;

DOI:10.1021/jm00401a017

upstream raw materials:

pyridine

2-methylene-3-<<(octadecylamino)carbonyl>oxy>propyl 6-bromohexanoate

octadecyl isocyanate

3-hydroxy-2-methylenepropyl N-octadecylcarbamate

Refernces