Benzyl 6-hydroxynicotinate

Base Information

• Chemical Name: Benzyl 6-hydroxynicotinate
• CAS No.: 191157-01-4
• Molecular Formula: C13H11 N O3
• Molecular Weight: 229.23
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30427468
• Wikidata: Q82240127
• Mol file: 191157-01-4.mol

Synonyms:BENZYL 6-HYDROXYNICOTINATE;191157-01-4;benzyl 6-oxo-1H-pyridine-3-carboxylate;3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-, phenylmethyl ester;Benzyl 6-hydroxypyridine-3-carboxylate;benzyl 6-hydroxy-nicotinate;SCHEMBL4252766;BENZYL6-HYDROXYNICOTINATE;6-oxo-1,6-dihydro-pyridine-3-carboxylic acid benzyl ester;DTXSID30427468;HGBIRINXNOIQIR-UHFFFAOYSA-N;AKOS024318897;AS-76258;CS-0448981;phenylmethyl 6-hydroxy-3-pyridinecarboxylate

Chemical Property of Benzyl 6-hydroxynicotinate

Chemical Property:

• Vapor Pressure: 5.95E-08mmHg at 25°C
• Melting Point: 178-181°C
• Refractive Index: 1.587
• Boiling Point: 440.3°Cat760mmHg
• Flash Point: 220.1°C
• PSA: 59.42000
• Density: 1.26g/cm³
• LogP: 2.14420
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 229.07389321
• Heavy Atom Count: 17
• Complexity: 365

Purity/Quality:

99% ^*data from raw suppliers

BENZYL-6-HYDROXYNICOTINATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)C2=CNC(=O)C=C2

Technology Process of Benzyl 6-hydroxynicotinate

There total 3 articles about Benzyl 6-hydroxynicotinate 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: 88.0%

6-hydroxy-3-pyridinecarboxylic acid (5006-66-6) + benzyl alcohol (100-51-6,185532-71-2) → 6-hydroxynicotinic acid benzyl ester (191157-01-4)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 0 - 20 ℃; for 16h;

DOI:10.1039/c9cc09434b

Reference yield: 64.0%

benzyl alcohol (100-51-6,185532-71-2) → 6-oxo-1,6-dihydro-pyridine-3-carboxylic acid benzyl ester (191157-01-4)

Guidance literature:

6-hydroxy-3-pyridinecarboxylic acid; With thionyl chloride; for 1h; Heating / reflux;

benzyl alcohol;

Reference yield:

→ 6-hydroxynicotinic acid benzyl ester (191157-01-4)

Guidance literature:

upstream raw materials:

6-hydroxy-3-pyridinecarboxylic acid

benzyl alcohol