6-Ethoxynicotinic acid

Base Information

• Chemical Name: 6-Ethoxynicotinic acid
• CAS No.: 97455-65-7
• Molecular Formula: C₈H₉NO₃
• Molecular Weight: 167.164
• Hs Code.: 2933399090
• European Community (EC) Number: 809-844-1
• DSSTox Substance ID: DTXSID80424543
• Wikidata: Q82237170
• ChEMBL ID: CHEMBL1417454
• Mol file: 97455-65-7.mol

Synonyms:6-ethoxynicotinic acid;97455-65-7;6-ethoxypyridine-3-carboxylic acid;6-Ethoxy-nicotinic acid;3-Pyridinecarboxylic acid, 6-ethoxy-;MLS001048921;SCHEMBL796493;CHEMBL1417454;DTXSID80424543;RAMUDXNFZBUNHO-UHFFFAOYSA-N;HMS2267J12;2-Ethoxy-5-pyridinecarboxylic acid;6-ethoxy-3-pyridinecarboxylic acid;6-ethoxy-nicotinic acid, AldrichCPR;BBL013253;MFCD07403514;STK503420;AKOS000141852;SB53030;AM808255;SMR000387111;TS-02250;BB 0257611;FT-0738105;EN300-44276;AB00601011-08;A858627;J-400299;F2147-1650;Z240114982

Chemical Property of 6-Ethoxynicotinic acid

Chemical Property:

• Vapor Pressure: 0.000691mmHg at 25°C
• Refractive Index: 1.54
• Boiling Point: 295.4°Cat760mmHg
• Flash Point: 132.5°C
• PSA: 59.42000
• Density: 1.231g/cm³
• LogP: 1.17850
• Storage Temp.: 2-8°C
• XLogP3: 1
• 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:

99%, ^*data from raw suppliers

6-ethoxynicotinicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-Ethoxynicotinic acid

There total 4 articles about 6-Ethoxynicotinic 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: 57.39%

6-Chloro-3-pyridinecarboxylic acid (5326-23-8) + ethanol (64-17-5) → 6-ethoxy-3-pyridinecarboxylic acid (97455-65-7)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 70 - 80 ℃; for 22h;

DOI:10.1007/s00044-017-1825-x

Reference yield:

ethanol (64-17-5) + 6-ethoxy-N-methylnicotinamide (1198164-31-6) → 6-ethoxy-3-pyridinecarboxylic acid (97455-65-7)

Guidance literature:

6-ethoxy-N-methylnicotinamide; With water; sodium hydroxide; In ethanol; at 50 ℃; Cooling with ice;

With hydrogenchloride; In water;

ethanol; With hydrogenchloride; In water; at 50 ℃; Cooling with ice;

Reference yield:

6-Chloro-3-pyridinecarboxylic acid (5326-23-8) → 6-ethoxy-3-pyridinecarboxylic acid (97455-65-7)

Guidance literature:

upstream raw materials:

6-Chloro-3-pyridinecarboxylic acid

ethanol

6-ethoxy-N-methylnicotinamide

Downstream raw materials:

(R)-tert-butyl 2-(3-bromo-4-(6-ethoxynicotinamido)phenyl)morpholine-4-carboxylate

6-ethoxy-3-pyridinecarboxaldehyde

Refernces

• 1、 -. "CARBINOL DERIVATIVES HAVING CYCLIC LINKER". Page/Page column 22. . Retrieved 2010/03/31.