Picolinic acid N-oxide

Base Information

• Chemical Name: Picolinic acid N-oxide
• CAS No.: 824-40-8
• Molecular Formula: C6H5NO3
• Molecular Weight: 139.111
• Hs Code.: 2933399090
• European Community (EC) Number: 212-528-0
• NSC Number: 27961
• DSSTox Substance ID: DTXSID40231715
• Nikkaji Number: J106F
• Wikidata: Q83112642
• ChEMBL ID: CHEMBL73173
• Mol file: 824-40-8.mol

Synonyms:Picolinic acid N-oxide;824-40-8;2-carboxypyridin-1-ium-1-olate;Pyridine-2-carboxylic acid 1-oxide;2-Pyridinecarboxylic acid, 1-oxide;Picolinic acid 1-oxide;1-oxidopyridin-1-ium-2-carboxylic acid;2-Carboxypyridine N-oxide;PICOLINICACIDN-OXIDE;Pyridine-2-carboxylic acid N-oxide;Picolinic acid, 1-oxide;CHEMBL73173;MFCD00006198;picolinate n-oxide;1-Oxopicolinic acid;2-Carboxypyridine 1-Oxide;2-carboxypyridine-N-oxide';Picolinic acid N-oxide, 97%;2-Pyridinecarboxylic acid oxide;SCHEMBL1489277;DTXSID40231715;CHEBI:169993;2-Pyridinecarboxylic acid 1-oxide;2-Carboxylic acid-pyridine-1-oxide;NSC27961;EINECS 212-528-0;BDBM50403312;NSC-27961;AKOS004896823;AS-57733;BP-13073;P2516;EN300-22344;E85314;AC-907/25014369;J-640108;J-800110;Z147642478;2-Pyridinecarboxylicacid, 1-oxide;Picolinicacid, 1-oxide;2-Carboxylicacid-pyridine-1-oxide

Chemical Property of Picolinic acid N-oxide

Chemical Property:

• Appearance/Colour: White to light beige crystals
• Vapor Pressure: 1.34E-09mmHg at 25°C
• Melting Point: 162 °C (dec.)(lit.)
• Refractive Index: 1.5423 (estimate)
• Boiling Point: 469°C at 760 mmHg
• PKA: 1.57±0.50(Predicted)
• Flash Point: 237.4°C
• PSA: 62.76000
• Density: 1.4429 (rough estimate)
• LogP: 0.81330
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 139.026943022
• Heavy Atom Count: 10
• Complexity: 137

Purity/Quality:

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

Picolinic acid N-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=[N+](C(=C1)C(=O)O)[O-]

Technology Process of Picolinic acid N-oxide

There total 20 articles about Picolinic acid N-oxide 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: 97.0%

2-Picolinic acid (98-98-6) → 2-pyridinecarboxylic acid N-oxide (824-40-8)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃; for 1.16667h;

DOI:10.1021/jo1026035

Reference yield: 86.0%

→ 2-Picolinic acid (98-98-6) + 2-pyridinecarboxylic acid N-oxide (824-40-8)

Guidance literature:

Reference yield: 56.0%

4-(2-pyridyl)dimedone (83819-58-3) → 2-pyridinecarboxylic acid N-oxide (824-40-8)

Guidance literature:

With dihydrogen peroxide; In acetic acid; for 5h; Heating;

DOI:10.1248/cpb.30.2326

upstream raw materials:

2-methylpyridine N-oxide

2-Picolinic acid

pyridine-2-carboxylic acid amide

methyl pyridine-2-carboxylate

Downstream raw materials:

2-carboxy-4-nitropyridine-1-oxide

2-(hydrazinecarbonyl)pyridine-1-oxide

pyridine N-oxide

2-(ethoxycarbonyl)pyridine-1-oxide

Refernces

• 1、 Gajeles, Ghellyn,Kim, Se Mi,Lee, Kyung-Koo,Lee, Sang Hee,Yoo, Jong-Cheol. "Recyclable anhydride catalyst for H2O2 oxidation:: N -oxidation of pyridine derivatives". . p. 9165 - 9171. Retrieved 2020/03/13.
• 2、 Azarifar, Davood,Mahmoudi, Boshra. "Catalyst-free and selective oxidation of pyridine derivatives and tertiary amines to corresponding N-oxides with 1,2-diphenyl-1,1,2,2-tetrahydroperoxyethane". . p. 645 - 651. Retrieved 2016/02/19.