1-(Phenoxycarbonyl)pyridin-1-ium chloride

Base Information

• Chemical Name: 1-(Phenoxycarbonyl)pyridin-1-ium chloride
• CAS No.: 86801-40-3
• Molecular Formula: C12H10NO2.Cl
• Molecular Weight: 235.67
• DSSTox Substance ID: DTXSID10515791
• Mol file: 86801-40-3.mol

Synonyms:86801-40-3;1-(Phenoxycarbonyl)pyridin-1-ium chloride;DTXSID10515791

Chemical Property of 1-(Phenoxycarbonyl)pyridin-1-ium chloride

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 235.0400063
• Heavy Atom Count: 16
• Complexity: 206

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC(=O)[N+]2=CC=CC=C2.[Cl-]

Technology Process of 1-(Phenoxycarbonyl)pyridin-1-ium chloride

There total 1 articles about 1-(Phenoxycarbonyl)pyridin-1-ium chloride 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:

pyridine (110-86-1) + phenyl chloroformate (1885-14-9) → 1-phenoxycarbonylpyridinium chloride (86801-40-3)

Guidance literature:

Reference yield: 95.0%

butyl magnesium bromide (693-04-9) + 1-phenoxycarbonylpyridinium chloride (86801-40-3) → 4-Butyl-4H-pyridine-1-carboxylic acid phenyl ester (86801-34-5)

Guidance literature:

With copper(l) iodide; In tetrahydrofuran; at -20 ℃;

DOI:10.1016/S0040-4039(00)88029-6

Reference yield: 75.0%

(E)-1-Bromo-2-butene (4784-77-4,39616-19-8,29576-14-5) + 1-phenoxycarbonylpyridinium chloride (86801-40-3) → 2-(1-methyl-allyl)-2H-pyridine-1-carboxylic acid phenyl ester

Guidance literature:

(E)-1-Bromo-2-butene; With indium; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

1-phenoxycarbonylpyridinium chloride; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

DOI:10.1016/S0040-4039(00)01332-0

upstream raw materials:

pyridine

phenyl chloroformate

Downstream raw materials:

4-Butyl-4H-pyridine-1-carboxylic acid phenyl ester

1-(phenoxycarbonyl)-1,2-dihydropyridine

1-phenoxycarbonyl-1,4-dihydropyridine

4-(2-Fluoro-phenyl)-4H-pyridine-1-carboxylic acid phenyl ester