6-(3-Nitrophenyl)picolinic acid

Base Information

• Chemical Name: 6-(3-Nitrophenyl)picolinic acid
• CAS No.: 80021-34-7
• Molecular Formula: C12H8 N2 O4
• Molecular Weight: 244.2
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40510471
• Wikidata: Q82368782
• Mol file: 80021-34-7.mol

Synonyms:6-(3-Nitrophenyl)picolinic acid;80021-34-7;6-(3-NITROPHENYL)PYRIDINE-2-CARBOXYLIC ACID;MFCD06410075;6-(3-NITROPHENYL)-2-PYRIDINECARBOXYLIC ACID;6-(3-Nitrophenyl)picolinicacid;SCHEMBL11160830;DTXSID40510471;RZDPUNHNZGWZNV-UHFFFAOYSA-N;AC7571;AKOS022183994;AB23997;AC-23652;SY014516;CS-0455840;FT-0730714;A864769

Chemical Property of 6-(3-Nitrophenyl)picolinic acid

Chemical Property:

• PSA: 96.01000
• LogP: 2.87820
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 244.04840674
• Heavy Atom Count: 18
• Complexity: 329

Purity/Quality:

97% ^*data from raw suppliers

6-(3-Nitrophenyl)picolinic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=CC=C2)C(=O)O

Technology Process of 6-(3-Nitrophenyl)picolinic acid

There total 3 articles about 6-(3-Nitrophenyl)picolinic 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-(3-nitrophenyl)pyridine (4253-79-6) → 6-(3-Nitro-phenyl)-pyridine-2-carboxylic acid (80021-34-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 30percent aq. H₂O₂ / acetic acid / 20 h / 80 °C

2: 1.) Me₂SO₄ / 1.) 80-90 deg C, 2 h, 2.) dioxane, H₂O, RT, 30 min

3: 5 M aq. HCl / 11 h / Heating

With hydrogenchloride; dihydrogen peroxide; dimethyl sulfate; In acetic acid;

DOI:10.1021/jm00364a026

Reference yield:

6-(3-Nitro-phenyl)-pyridine-2-carbonitrile → 6-(3-Nitro-phenyl)-pyridine-2-carboxylic acid (80021-34-7)

Guidance literature:

With hydrogenchloride; for 11h; Heating;

DOI:10.1021/jm00364a026

Reference yield:

2-(3-nitrophenyl)pyridine 1-oxide (103985-13-3) → 6-(3-Nitro-phenyl)-pyridine-2-carboxylic acid (80021-34-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) Me₂SO₄ / 1.) 80-90 deg C, 2 h, 2.) dioxane, H₂O, RT, 30 min

2: 5 M aq. HCl / 11 h / Heating

With hydrogenchloride; dimethyl sulfate;

DOI:10.1021/jm00364a026

upstream raw materials:

2-(3-nitrophenyl)pyridine

2-(3-nitrophenyl)pyridine 1-oxide

Downstream raw materials:

N-(5-tetrazolyl)-6-(3-nitrophenyl)-2-pyridinecarboxamide

N-(5-tetrazolyl)-6-(3-aminophenyl)-2-pyridinecarboxamide