ISONICOTINIC ACID PHENYL ESTER

Base Information

• Chemical Name: ISONICOTINIC ACID PHENYL ESTER
• CAS No.: 94-00-8
• Molecular Formula: C12H9 N O2
• Molecular Weight: 199.209
• Mol file: 94-00-8.mol

Synonyms:Isonicotinicacid, phenyl ester (7CI,8CI); Phenyl 4-pyridinecarboxylate; Phenylisonicotinate

Chemical Property of ISONICOTINIC ACID PHENYL ESTER

Chemical Property:

• Melting Point: 72 °C
• Boiling Point: 338.9±15.0 °C(Predicted)
• PKA: 2.96±0.26(Predicted)
• Density: 1.199±0.06 g/cm3(Predicted)

Purity/Quality:

97% ^*data from raw suppliers

PhenylPyridine-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ISONICOTINIC ACID PHENYL ESTER

There total 5 articles about ISONICOTINIC ACID PHENYL 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: 99.0%

→ 4-pyridinecarboxylic acid phenyl ester (94-00-8)

Guidance literature:

With thionyl chloride; for 1h; Reflux;

With dmap; triethylamine; In tetrahydrofuran; dichloromethane; at 0 - 20 ℃; for 1h;

Reference yield: 86.0%

N-benzyl-N-Boc-4-pyridinecarboxamide (351900-19-1) + phenol (108-95-2,27073-41-2) → 4-pyridinecarboxylic acid phenyl ester (94-00-8)

Guidance literature:

With sodium t-butanolate; In toluene; at 150 ℃; for 24h; Sealed tube;

DOI:10.1007/s11426-020-9883-3

Reference yield: 84.0%

pyridine-4-carboxylic acid (55-22-1) + phenol (108-95-2,27073-41-2) → 4-pyridinecarboxylic acid phenyl ester (94-00-8)

Guidance literature:

pyridine-4-carboxylic acid; With thionyl chloride; at 20 ℃; for 18h;

phenol; With triethylamine; In tetrahydrofuran; at 20 ℃; for 24h;

DOI:10.1002/ejoc.201500630

upstream raw materials:

4-(chlorocarbonyl)pyridine

phenol

pyridine-4-carboxylic acid

N-benzyl-N-Boc-4-pyridinecarboxamide

Downstream raw materials:

4a,5,10,11-Tetraaza-benzo[b]fluorene-2-carboxylic acid phenyl ester

p-phenylpyridine

N-(pyridin-2-yl)isonicotinamide

1-(4-methoxyphenyl)-2-(pyridin-4-yl)ethanone