6-Methyl-5-nitropicolinic acid

Base Information

• Chemical Name: 6-Methyl-5-nitropicolinic acid
• CAS No.: 24194-98-7
• Molecular Formula: C7H6N2O4
• Molecular Weight: 182.136
• Hs Code.: 2933399090
• European Community (EC) Number: 823-199-3
• DSSTox Substance ID: DTXSID60428680
• Wikidata: Q72493817
• Mol file: 24194-98-7.mol

Synonyms:6-Methyl-5-nitropicolinic acid;24194-98-7;6-methyl-5-nitropyridine-2-carboxylic acid;2-Methyl-3-nitropyridine-6-carboxylic acid;AQ-738/42399561;6-Methyl-5-nitropicolinicacid;SCHEMBL2255634;DTXSID60428680;MLRMGVGPJDXMLC-UHFFFAOYSA-N;AMY15726;MFCD07776980;AKOS006284895;AC-5747;SB53415;5-nitro-6-methyl-2-pyridinecarboxylic acid;CS-0308374;FT-0646052;EN300-117804;A817139;Z1198174177

Chemical Property of 6-Methyl-5-nitropicolinic acid

Chemical Property:

• Vapor Pressure: 5.72E-06mmHg at 25°C
• Melting Point: 126 °C
• Refractive Index: 1.608
• Boiling Point: 365 °C at 760 mmHg
• PKA: 2.78±0.13(Predicted)
• Flash Point: 174.5 °C
• PSA: 96.01000
• Density: 1.477 g/cm³
• LogP: 1.51960
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 182.03275668
• Heavy Atom Count: 13
• Complexity: 225

Purity/Quality:

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

6-methyl-5-nitropicolinicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=N1)C(=O)O)[N+](=O)[O-]

Technology Process of 6-Methyl-5-nitropicolinic acid

There total 5 articles about 6-Methyl-5-nitropicolinic 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: 61.0%

3-nitro-2,6-lutidine (15513-52-7,767567-84-0) → 2-methyl-3-nitropyridine-6-carboxylic acid (24194-98-7)

Guidance literature:

With potassium permanganate; selenium(IV) oxide;

DOI:10.1016/S0040-4039(00)93168-X

Reference yield:

6-methyl-5-nitropyridine-2-carbonitrile (65169-58-6) → 2-methyl-3-nitropyridine-6-carboxylic acid (24194-98-7)

Guidance literature:

With potassium tert-butylate; In water; isopropyl alcohol; at 100 ℃;

Reference yield:

6-bromo-2-methyl-3-nitro-pyridine (22282-96-8) → 2-methyl-3-nitropyridine-6-carboxylic acid (24194-98-7)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl acetamide / 4 h / 150 °C / Inert atmosphere; Microwave irradiation

2: potassium tert-butylate / water; isopropyl alcohol / 100 °C

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium tert-butylate; In N,N-dimethyl acetamide; water; isopropyl alcohol;

upstream raw materials:

3-nitro-2,6-lutidine

2,6-dimethylpyridine

6-methyl-5-nitropyridine-2-carbonitrile

6-bromo-2-methyl-3-nitro-pyridine

Downstream raw materials:

2-methyl-3-nitropyridine 1-oxide

2-methyl-3-nitropyridine

Refernces

• 1、 -. "THERAPEUTIC COMPOUNDS AND COMPOSITIONS". Paragraph 0791; 0792. . Retrieved 2014/09/30.
• 2、 Achremowicz, Lucjan. "OXIDATIVE DEMETHYLATION OF SOME METHYLNITROPYRIDINE 1-OXIDES". . p. 2433 - 2434. Retrieved 2007/10/02.