2-Hydroxy-5-sulfonicotinic acid

Base Information

• Chemical Name: 2-Hydroxy-5-sulfonicotinic acid
• CAS No.: 334708-05-3
• Molecular Formula: C6H5NO6S
• Molecular Weight: 219.17200
• Hs Code.: 2933399090
• European Community (EC) Number: 852-673-2
• DSSTox Substance ID: DTXSID70377231
• Wikidata: Q82166373
• Mol file: 334708-05-3.mol

Synonyms:2-hydroxy-5-sulfonicotinic acid;334708-05-3;2-Hydroxy-5-sulfopyridine-3-carboxylic acid;2-oxo-5-sulfo-1H-pyridine-3-carboxylic Acid;2-hydroxy-5-sulfonicotinicacid;SCHEMBL3579838;SCHEMBL12508287;DTXSID70377231;ZUWITCSMJULFEU-UHFFFAOYSA-N;MFCD04973724;AKOS005070447;CS-0308752;FT-0680407;EN300-130320;4X-0702;J-509656;Z1269132775

Chemical Property of 2-Hydroxy-5-sulfonicotinic acid

Chemical Property:

• Melting Point: 273oC
• PSA: 133.17000
• LogP: 0.81290
• XLogP3: -1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 218.98375805
• Heavy Atom Count: 14
• Complexity: 451

Purity/Quality:

97% ^*data from raw suppliers

2-hydroxy-5-sulfonicotinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=O)NC=C1S(=O)(=O)O)C(=O)O

Technology Process of 2-Hydroxy-5-sulfonicotinic acid

There total 1 articles about 2-Hydroxy-5-sulfonicotinic 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: 83.0%

2-hydroxy-3-carboxypyridine (609-71-2) → 2-hydroxy-5-sulfonicotinic acid (334708-05-3)

Guidance literature:

With sulfuric acid; at 50 - 140 ℃; for 13h;

Reference yield:

2-hydroxy-5-sulfonicotinic acid (334708-05-3) → C27H34N8O5S*C7H8O3S

Guidance literature:

Multi-step reaction with 7 steps

1.1: 18.5 h / 22 - 80 °C

2.1: thionyl chloride / toluene; N,N-dimethyl-formamide / 3 h / Reflux

3.1: triethylamine / toluene / 19.5 h / 10 - 20 °C

4.1: toluene / 10 - 20 °C

4.2: 18 h / 40 °C

5.1: 1,1'-carbonyldiimidazole / ethyl acetate / 2 h / 25 °C / Inert atmosphere; Reflux; Large scale

5.2: 16 h / 45 °C / Inert atmosphere; Reflux; Large scale

6.1: 0.17 h / 20 °C / Inert atmosphere

6.2: Inert atmosphere

6.3: 6 h / 115 - 125 °C / Inert atmosphere

7.1: water; butanone / 35 °C

With thionyl chloride; triethylamine; 1,1'-carbonyldiimidazole; In water; ethyl acetate; N,N-dimethyl-formamide; toluene; butanone;

DOI:10.1021/op0200468

Reference yield:

2-hydroxy-5-sulfonicotinic acid (334708-05-3) → 2-Ethoxy-5-(4-ethylpiperazin-1-ylsulphonyl)pyridine-3-carboxylic Acid (247582-73-6)

Guidance literature:

Multi-step reaction with 4 steps

1.1: 18.5 h / 22 - 80 °C

2.1: thionyl chloride / toluene; N,N-dimethyl-formamide / 3 h / Reflux

3.1: triethylamine / toluene / 19.5 h / 10 - 20 °C

4.1: toluene / 10 - 20 °C

4.2: 18 h / 40 °C

With thionyl chloride; triethylamine; In N,N-dimethyl-formamide; toluene;

DOI:10.1021/op0200468

upstream raw materials:

2-hydroxy-3-carboxypyridine

Downstream raw materials:

3-Ethyl-1H-pyrazole-5-carboxylic Acid

2-Ethoxy-5-(4-ethylpiperazin-1-ylsulphonyl)pyridine-3-carboxylic Acid

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