2-(2,4-Difluorophenoxy)-3-nitropyridine

Base Information

• Chemical Name: 2-(2,4-Difluorophenoxy)-3-nitropyridine
• CAS No.: 175135-62-3
• Molecular Formula: C11H6F2N2O3
• Molecular Weight: 252.177
• Hs Code.: 2933399090
• European Community (EC) Number: 672-021-9
• DSSTox Substance ID: DTXSID50371792
• Wikidata: Q82159239
• ChEMBL ID: CHEMBL1562220
• Mol file: 175135-62-3.mol

Synonyms:2-(2,4-difluorophenoxy)-3-nitropyridine;175135-62-3;CHEMBL1562220;C11H6F2N2O3;Maybridge1_001650;MLS000833742;HMS546C22;DTXSID50371792;HMS2801C18;BDBM50559488;MFCD00067800;AKOS015854338;SMR000457263;2-(2',4'-difluorophenoxy)-3-nitropyridine;CS-0336832;FT-0608402;2-[2,4-bis(fluoranyl)phenoxy]-3-nitro-pyridine;A811737;J-011064

Chemical Property of 2-(2,4-Difluorophenoxy)-3-nitropyridine

Chemical Property:

• Vapor Pressure: 0.00107mmHg at 25°C
• Melting Point: 63 °C
• Refractive Index: 1.585
• Boiling Point: 301.2 °C at 760 mmHg
• PKA: -1.95±0.22(Predicted)
• Flash Point: 136 °C
• PSA: 67.94000
• Density: 1.453 g/cm³
• LogP: 3.58350
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 252.03464838
• Heavy Atom Count: 18
• Complexity: 301

Purity/Quality:

98%min ^*data from raw suppliers

2-(2,4-Difluorophenoxy)-3-nitropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(N=C1)OC2=C(C=C(C=C2)F)F)[N+](=O)[O-]

Technology Process of 2-(2,4-Difluorophenoxy)-3-nitropyridine

There total 2 articles about 2-(2,4-Difluorophenoxy)-3-nitropyridine 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-Chloro-3-nitropyridine (5470-18-8,34515-82-7) + 2,4-difluorophenol (367-27-1) → 2-(2,4-difluorophenoxy)-3-nitropyridine (175135-62-3)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; Reflux;

DOI:10.1248/cpb.59.1069

Reference yield: 47.0%

2-chloropyridine (109-09-1) + 2,4-difluorophenol (367-27-1) → 2-(2,4-difluorophenoxy)-3-nitropyridine (175135-62-3)

Guidance literature:

for 6h; Reflux; Alkaline conditions;

DOI:10.1016/j.bmc.2020.115990

Reference yield: 80.0%

2-(2,4-difluorophenoxy)-3-nitropyridine (175135-62-3) → 2-(2,4-difluorophenoxy)pyridin-3-amine (175135-63-4)

Guidance literature:

With sodium dithionite; water; In tetrahydrofuran; at 20 ℃; for 2.5h;

DOI:10.1248/cpb.59.1069

upstream raw materials:

2-Chloro-3-nitropyridine

2,4-difluorophenol

2-chloropyridine

Downstream raw materials:

2-(2,4-difluorophenoxy)pyridin-3-amine

Refernces

• 1、 Nakayama, Hitoshi,Ishihara, Keiichi,Akiba, Satoshi,Uenishi, Jun'ichi. "Synthesis of N-[2-(2,4-difluorophenoxy)trifluoromethyl-3-pyridyl]- sulfonamides and their inhibitory activities against secretory phospholipase A2". experimental part. p. 1069 - 1072. Retrieved 2011/10/02.