Ethyl 3-hydroxyisonicotinate

Base Information

• Chemical Name: Ethyl 3-hydroxyisonicotinate
• CAS No.: 18342-97-7
• Molecular Formula: C8H9NO3
• Molecular Weight: 167.16196
• Hs Code.: 29349990
• European Community (EC) Number: 696-216-3
• DSSTox Substance ID: DTXSID00489598
• Nikkaji Number: J466.053F
• Wikidata: Q82332987
• Mol file: 18342-97-7.mol

Synonyms:ethyl 3-hydroxyisonicotinate;18342-97-7;3-HYDROXYPYRIDINE-4-CARBOXYLIC ACID ETHYL ESTER;Ethyl 3-hydroxypyridine-4-carboxylate;4-PYRIDINECARBOXYLIC ACID, 3-HYDROXY-, ETHYL ESTER;MFCD09702483;Ethyl3-hydroxyisonicotinate;3-Hydroxy-isonicotinic acid ethyl ester;Ethyl 3-hydroxy-isonicotinate;SCHEMBL2568123;AMY5720;DTXSID00489598;XIBQCRQYVCFUFO-UHFFFAOYSA-N;AKOS006331854;PB32752;PS-5348;AC-31233;BL009831;CS-0053860;FT-0686272;3-HYDROXYISONICOTINIC ACID ETHYL ESTER;A22190;J-512660;3-hydroxypyridine-4-carboxylic acid ethyl ester, AldrichCPR;Ethyl 3-Hydroxypyridine-4-carboxylate

Chemical Property of Ethyl 3-hydroxyisonicotinate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 35 °C
• Refractive Index: 1.542
• Boiling Point: 321.943 °C at 760 mmHg
• PKA: 7.05±0.10(Predicted)
• Flash Point: 148.506 °C
• PSA: 59.42000
• Density: 1.234 g/cm³
• LogP: 0.96390
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 167.058243149
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

ethyl3-hydroxyisonicotinate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41-22
• Safety Statements: 26-39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=NC=C1)O

Technology Process of Ethyl 3-hydroxyisonicotinate

There total 6 articles about Ethyl 3-hydroxyisonicotinate 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: 94.0%

ethanol (64-17-5) + 3-hydroxyisonicotinic acid (10128-71-9) → ethyl 3-hydroxyisonicotinate (18342-97-7)

Guidance literature:

With thionyl chloride; for 15h; Product distribution / selectivity; Heating / reflux;

Reference yield: 69.0%

sodium ethanolate (141-52-6) + 3-hydroxyisonicotinic acid (10128-71-9) → ethyl 3-hydroxyisonicotinate (18342-97-7)

Guidance literature:

3-hydroxyisonicotinic acid; With 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 70 ℃; for 1h;

sodium ethanolate; In tetrahydrofuran; ethanol; Product distribution / selectivity;

Reference yield:

ethyl 3-aminopyridine-4-carboxylate (14208-83-4) → ethyl 3-hydroxyisonicotinate (18342-97-7)

Guidance literature:

With sulfuric acid; sodium nitrite; In water; at 0 - 90 ℃; for 1.66667h;

upstream raw materials:

ethanol

3-hydroxyisonicotinic acid

ethyl 3-aminopyridine-4-carboxylate

sodium ethanolate

Downstream raw materials:

Ethyl 2-(4-Ethoxycarbonyl-3-pyridyloxy) acetate

isonicotinoylhydrazide

ethyl 3-(((trifluoromethyl) sulfonyl)oxy)furo[2,3-c]pyridine-2-carboxylate

N-(4-(6-methylpyridin-3-ylsulfonyl)benzyl)furo[2.3-c]pyridine-2-carboxamide