2,6-Dichloro-5-fluoronicotinamide

Base Information

• Chemical Name: 2,6-Dichloro-5-fluoronicotinamide
• CAS No.: 113237-20-0
• Molecular Formula: C6H3Cl2FN2O
• Molecular Weight: 209.007
• Hs Code.: 2933399090
• European Community (EC) Number: 692-271-2
• DSSTox Substance ID: DTXSID30378845
• Wikidata: Q82168424
• Mol file: 113237-20-0.mol

Synonyms:2,6-dichloro-5-fluoronicotinamide;113237-20-0;2,6-dichloro-5-fluoropyridine-3-carboxamide;3-Pyridinecarboxamide, 2,6-dichloro-5-fluoro-;MFCD01571365;SCHEMBL166218;DTXSID30378845;ZVYNUGSPFZCYEV-UHFFFAOYSA-N;BCP32573;2,6-dichloro-5-fluoro-nicotinamide;AKOS015919604;SB30778;SS-4674;AC-25121;SY056741;CS-0120187;A23602;AN-668/25055006

Chemical Property of 2,6-Dichloro-5-fluoronicotinamide

Chemical Property:

• Melting Point: 160-162oC
• Boiling Point: 259.0±40.0 °C(Predicted)
• PKA: 13.36±0.50(Predicted)
• PSA: 55.98000
• Density: 1.614±0.06 g/cm3(Predicted)
• LogP: 2.32670
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 207.9606463
• Heavy Atom Count: 12
• Complexity: 192

Purity/Quality:

98%, ^*data from raw suppliers

2,6-Dichloro-5-fluoronicotinamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=NC(=C1F)Cl)Cl)C(=O)N

Technology Process of 2,6-Dichloro-5-fluoronicotinamide

There total 6 articles about 2,6-Dichloro-5-fluoronicotinamide 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: 99.5%

2,6-dichloro-5-fluoro-pyridine-3-carbonitrile (82671-02-1) → 2,6-dichloro-5-fluoropyridine-3-carboxamide (113237-20-0)

Guidance literature:

With sulfuric acid; at 62 ℃; for 1h;

Reference yield: 69.0%

2,6-dichloro-5-fluoro-3-pyridinecarboxylic acid (82671-06-5) → 2,6-dichloro-5-fluoropyridine-3-carboxamide (113237-20-0)

Guidance literature:

2,6-dichloro-5-fluoro-3-pyridinecarboxylic acid; With 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 60 ℃; for 2.25h; Inert atmosphere;

With ammonia; In tetrahydrofuran; water; toluene; at 0 - 20 ℃; for 1h; Inert atmosphere;

Reference yield:

2,6-dichloro-5-fluoro-3-nicotinoyl chloride (96568-02-4) → 2,6-dichloro-5-fluoropyridine-3-carboxamide (113237-20-0)

Guidance literature:

With ammonium hydroxide; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1016/j.bmcl.2012.12.065

upstream raw materials:

2,6-dichloro-5-fluoro-pyridine-3-carbonitrile

5-fluoro-2,6-dihydroxynicotinamide

2-Cyanopyridine

1,2-dichloro-ethane

Downstream raw materials:

2,6-dichloro-5-fluoro-3-pyridinecarboxylic acid

2,6-dichloro-5-fluoropyridine-3-amine

ethyl 6-(4-acetyl-1-piperazinyl)-2-ethylamino-5-fluoronicotinate

2-chloro-5-fluoropyridine-3-carboxamide

Refernces

• 1、 -. "COVALENT RAS INHIBITORS AND USES THEREOF". Page/Page column 214. . Retrieved 2021/06/04.
• 2、 -. "RAS PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS". Paragraph 0333. . Retrieved 2021/03/19.