2-Chloro-5-hydroxynicotinic acid

Base Information

• Chemical Name: 2-Chloro-5-hydroxynicotinic acid
• CAS No.: 42959-40-0
• Molecular Formula: C₆H₄ClNO₃
• Molecular Weight: 173.556
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID70514962
• Wikidata: Q82375579
• Mol file: 42959-40-0.mol

Synonyms:2-CHLORO-5-HYDROXYNICOTINIC ACID;42959-40-0;2-CHLORO-5-HYDROXYPYRIDINE-3-CARBOXYLIC ACID;MFCD09757509;SCHEMBL4719997;DTXSID70514962;AKOS016009880;DS-6060;SY109273;CS-0157379;EN300-121615;F13413;A872784

Chemical Property of 2-Chloro-5-hydroxynicotinic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 236-237 °C (decomp)
• Refractive Index: 1.64
• Boiling Point: 530.1°Cat760mmHg
• PKA: 0.30±0.25(Predicted)
• Flash Point: 274.4°C
• PSA: 70.42000
• Density: 1.643g/cm³
• LogP: 1.13880
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 172.9879707
• Heavy Atom Count: 11
• Complexity: 164

Purity/Quality:

99.90% ^*data from raw suppliers

2-CHLORO-5-HYDROXYNICOTINIC ACID 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=NC(=C1C(=O)O)Cl)O

Technology Process of 2-Chloro-5-hydroxynicotinic acid

There total 1 articles about 2-Chloro-5-hydroxynicotinic 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:

→ 2-Chlor-5-hydroxy-nicotinsaeure (42959-40-0)

Guidance literature:

5-Acetoxy-2-chlornicotinsaeure (8), NaOH;

Reference yield: 69.0%

2-Chlor-5-hydroxy-nicotinsaeure (42959-40-0) + methyl iodide (74-88-4) → methyl 2-chloro-5-methoxynicotinate (1256791-15-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 20h;

DOI:10.1021/acschemneuro.7b00272

Reference yield:

2-Chlor-5-hydroxy-nicotinsaeure (42959-40-0) → 2-chloro-5-methoxy-3-pyridinecarboxylic acid (74650-71-8)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 20 h / 20 °C

2: lithium hydroxide / methanol; tetrahydrofuran; water / 20 °C

With potassium carbonate; lithium hydroxide; In tetrahydrofuran; methanol; water; N,N-dimethyl-formamide;

DOI:10.1021/acschemneuro.7b00272

Downstream raw materials:

2-chloro-5-methoxy-3-pyridinecarboxylic acid

methyl 2-chloro-5-methoxynicotinate