5-Chloro-6-methoxynicotinic acid

Base Information

• Chemical Name: 5-Chloro-6-methoxynicotinic acid
• CAS No.: 884494-85-3
• Molecular Formula: C₇H₆ClNO₃
• Molecular Weight: 187.583
• Hs Code.: 2933399990
• European Community (EC) Number: 675-561-3
• DSSTox Substance ID: DTXSID70588466
• Wikidata: Q72460781
• Mol file: 884494-85-3.mol

Synonyms:5-CHLORO-6-METHOXYNICOTINIC ACID;884494-85-3;5-chloro-6-methoxypyridine-3-carboxylic acid;5-Choro-6-methoxynicotinic acid;3-Chloro-5-carboxy-2-methoxypyridine;MFCD04972405;5-CHORO-6-METHOXYNICOTINICACID;5-Chloro-6-methoxynicotinicacid;(r)-3-amino-2-piperidinone;SCHEMBL1425009;DTXSID70588466;5-chloro-6-methoxy-nicotinic acid;AMY10831;BBL030314;CL0216;STK658512;AKOS000141250;AB20982;MCULE-3186793315;AC-23317;SY198047;TS-02639;DB-007021;CS-0109792;EN300-203387;A842599

Chemical Property of 5-Chloro-6-methoxynicotinic acid

Chemical Property:

• Refractive Index: 1.567
• Boiling Point: 296.7 °C at 760 mmHg
• PKA: 3.37±0.10(Predicted)
• Flash Point: 133.2 °C
• PSA: 59.42000
• Density: 1.43 g/cm³
• LogP: 1.44180
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 187.0036207
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-6-methoxynicotinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=N1)C(=O)O)Cl

Technology Process of 5-Chloro-6-methoxynicotinic acid

There total 2 articles about 5-Chloro-6-methoxynicotinic 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: 43.0%

methyl 5-chloro-6-methoxypyridine-3-carboxylate (220656-93-9) → 5-chloro-6-methoxynicotinic acid (884494-85-3)

Guidance literature:

methyl 5-chloro-6-methoxypyridine-3-carboxylate; With water; lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 2.5h;

With acetic acid; In tetrahydrofuran;

Reference yield:

methanol (67-56-1) + 5,6-dichloronicotinic acid (41667-95-2) → 5-chloro-6-methoxynicotinic acid (884494-85-3)

Guidance literature:

methanol; 5,6-dichloronicotinic acid; With sodium; Heating / reflux;

With hydrogenchloride; water;

upstream raw materials:

methanol

5,6-dichloronicotinic acid

methyl 5-chloro-6-methoxypyridine-3-carboxylate

Refernces

• 1、 -. "INDOLYLMETHYL-MORPHOLINE DERIVATIVES AS KINASE INHIBITORS". Page/Page column 62-63. . Retrieved 2010/12/31.