6-Hydroxy-3-methylpicolinic acid

Base Information

• Chemical Name: 6-Hydroxy-3-methylpicolinic acid
• CAS No.: 115185-81-4
• Molecular Formula: C7H7NO3
• Molecular Weight: 153.137
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10556366
• Wikidata: Q72480347
• Mol file: 115185-81-4.mol

Synonyms:6-Hydroxy-3-methylpicolinic acid;115185-81-4;6-HYDROXY-3-METHYLPYRIDINE-2-CARBOXYLIC ACID;3-methyl-6-oxo-1H-pyridine-2-carboxylic acid;2-Pyridinecarboxylic acid, 1,6-dihydro-3-methyl-6-oxo-;2-Pyridinecarboxylicacid,1,6-dihydro-3-methyl-6-oxo-(9CI);3-methyl-6-oxo-1,6-dihydropyridine-2-carboxylic acid;SCHEMBL2222443;6-Hydroxy-3-methylpicolinicacid;DTXSID10556366;MFCD18262270;AKOS016003414;AC-25123;DS-16980;A893925

Chemical Property of 6-Hydroxy-3-methylpicolinic acid

Chemical Property:

• Melting Point: 290-300 °C (decomp)
• Boiling Point: 410.358 °C at 760 mmHg
• PKA: 3.05±0.20(Predicted)
• Flash Point: 201.978 °C
• PSA: 70.16000
• Density: 1.346 g/cm³
• LogP: 0.38150
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 153.042593085
• Heavy Atom Count: 11
• Complexity: 275

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Hydroxy-3-methylpicolinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(NC(=O)C=C1)C(=O)O

Technology Process of 6-Hydroxy-3-methylpicolinic acid

There total 5 articles about 6-Hydroxy-3-methylpicolinic 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: 50.0%

3-methyl-6-oxo-1,6-dihydro-pyridine-2-carboxylic acid ethyl ester (1146964-94-4) → 3-methyl-6-oxo-1,6-dihydropyridine-2-carboxylic acid (115185-81-4)

Guidance literature:

3-methyl-6-oxo-1,6-dihydro-pyridine-2-carboxylic acid ethyl ester; With sodium hydroxide; water; at 20 ℃;

With Amberlite IR₁₂₀; In water;

DOI:10.1016/j.ejmech.2008.02.023

Reference yield:

5-methyl-6-carboxy-2-pyrone (3060-42-2) → 6-hydroxy-3-methylpicolinic acid (115185-81-4)

Guidance literature:

With ammonium acetate; acetic anhydride; acetic acid; Erhitzen auf Siedetemperatur;

DOI:10.1021/jo01204a010

Reference yield:

5-methyl-6-carboxy-2-pyrone (3060-42-2) → 3-methyl-6-oxo-1,6-dihydropyridine-2-carboxylic acid (115185-81-4)

Guidance literature:

With ammonium hydroxide; In water; Ambient temperature;

DOI:10.1021/ja00222a044

upstream raw materials:

5-methyl-6-carboxy-2-pyrone

4-methyl-5-oxo-hex-2-enedioic acid

4-methyl-5-oxo-hex-2-enedioic acid diethyl ester

3-methyl-6-oxo-1,6-dihydro-pyridine-2-carboxylic acid ethyl ester

Downstream raw materials:

5-methyl-pyridin-2-ol

3-Methylpyridine

2-Bromo-5-methylpyridine

5,5'-dimethyl-2,2'-bipyridine

Refernces

• 1、 Konno,Hashimoto,Ohfune,Shirahama,Matsumoto. "Acromelic acids A and B. Potent neuroexcitatory amino acids isolated from Clitocybe acromelalga". . p. 4807 - 4815. Retrieved 2007/10/02.