2-Ethoxyisonicotinic acid

Base Information

• Chemical Name: 2-Ethoxyisonicotinic acid
• CAS No.: 91940-86-2
• Molecular Formula: C8H9 N O3
• Molecular Weight: 167.164
• Hs Code.: 2933399990
• European Community (EC) Number: 801-505-6
• DSSTox Substance ID: DTXSID90343812
• Nikkaji Number: J1.397.490J
• Wikidata: Q82115335
• Mol file: 91940-86-2.mol

Synonyms:2-Ethoxyisonicotinic acid;91940-86-2;2-ethoxypyridine-4-carboxylic acid;2-Ethoxy-4-pyridinecarboxylic acid;2-Ethoxyisonicotinicacid;2-ethoxy-isonicotinic acid;2-Ethoxy Isonicotinic Acid;2-Ethoxyisonicotinic acid #;SCHEMBL1992514;DTXSID90343812;MFCD04115719;AKOS000206182;AB20466;2-ETHOXY-4-PYRIDINECARBOXYLICACID;TS-02251;CS-0070374;EN300-80425;2-ethoxy-4-pyridinecarboxylic acid, AldrichCPR;E85591;F8880-8196;Z319446996

Chemical Property of 2-Ethoxyisonicotinic acid

Chemical Property:

• Vapor Pressure: 1.49E-06mmHg at 25°C
• Boiling Point: 383.1°Cat760mmHg
• Flash Point: 185.5°C
• PSA: 59.42000
• Density: g/cm³
• LogP: 1.17850
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• 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:

98%min ^*data from raw suppliers

2-EthoxyisonicotinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=NC=CC(=C1)C(=O)O

Technology Process of 2-Ethoxyisonicotinic acid

There total 5 articles about 2-Ethoxyisonicotinic acid 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: 57.0%

2-chloroisonicotinic acid, (6313-54-8) + ethanol (64-17-5) → 2-ethoxyisonicotinic acid (91940-86-2)

Guidance literature:

With potassium hydroxide; In ethanol; dimethyl sulfoxide; at 80 ℃; for 16h;

Reference yield:

2,6-dichloropyridine-4-carboxylic acid (5398-44-7) → 2-ethoxyisonicotinic acid (91940-86-2)

Guidance literature:

Multi-step reaction with 3 steps

2: concentrated H₂SO₄

3: palladium; aqueous methanol. KOH / Hydrogenation

With potassium hydroxide; sulfuric acid; palladium;

Reference yield:

2-chloro-6-ethoxyisonicotinic acid (6291-10-7) → 2-ethoxyisonicotinic acid (91940-86-2)

Guidance literature:

With potassium hydroxide; palladium; Hydrogenation;

upstream raw materials:

2-chloroisonicotinic acid,

sodium ethanolate

2-chloro-6-ethoxyisonicotinic acid

2,6-dichloropyridine-4-carboxylic acid

Downstream raw materials:

6-{[2,6-dichloro-4-(trifluoromethyl)phenyl]amino}pyrido[4,3-c]-1,6-naphthyridin-10(9H)-one

6-{[2-fluoro-6-(trifluoromethyl)phenyl]amino}pyrido[4,3-c]-1,6-naphthyridin-10(9H)-one

C₁₉H₁₄Cl₂N₄O₂

6-{[2,6-dichloro-4-(1-hydroxy-1-methylethyl)phenyl]amino}pyrido[4,3-c]-1,6-naphthyridin-10(9H)-one