2,6-Dichloro-4-(trifluoromethyl)nicotinamide

Base Information

• Chemical Name: 2,6-Dichloro-4-(trifluoromethyl)nicotinamide
• CAS No.: 158063-67-3
• Molecular Formula: C7H3Cl2F3N2O
• Molecular Weight: 259.01
• Hs Code.: 2933399090
• European Community (EC) Number: 692-327-6
• DSSTox Substance ID: DTXSID20371668
• Wikidata: Q72468456
• Mol file: 158063-67-3.mol

Synonyms:2,6-dichloro-4-(trifluoromethyl)nicotinamide;158063-67-3;2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide;3-Pyridinecarboxamide, 2,6-dichloro-4-(trifluoromethyl)-;C7H3Cl2F3N2O;SCHEMBL565623;DTXSID20371668;BCP27559;MFCD00173903;AKOS005146068;AS-5630;AM20050842;CS-0186520;FT-0610578;2,6-dichloro-4-(trifluoromethyl) nicotinamide;N10269;2,6-dichloro-4-trifluoromethyl-3-pyridine carboxamide

Chemical Property of 2,6-Dichloro-4-(trifluoromethyl)nicotinamide

Chemical Property:

• Vapor Pressure: 25.5mmHg at 25°C
• Melting Point: 198-200 °C
• Refractive Index: 1.36
• Boiling Point: 266.6 °C at 760 mmHg
• PKA: 13.36±0.50(Predicted)
• Flash Point: 115 °C
• PSA: 55.98000
• Density: 1.631 g/cm³
• LogP: 3.20640
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 257.9574526
• Heavy Atom Count: 15
• Complexity: 261

Purity/Quality:

98%min ^*data from raw suppliers

2,6-Dichloro-4-(trifluoromethyl)pyridine-3-carboxamide 95.0% ^*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

Useful:

• Canonical SMILES: C1=C(C(=C(N=C1Cl)Cl)C(=O)N)C(F)(F)F

Technology Process of 2,6-Dichloro-4-(trifluoromethyl)nicotinamide

There total 2 articles about 2,6-Dichloro-4-(trifluoromethyl)nicotinamide 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: 90.09%

2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile (13600-42-5) → 2,6-dichloro-4-trifluoromethyl-3-pyridine carboxamide (158063-67-3)

Guidance literature:

With sulfuric acid; at 100 ℃; for 1h;

Reference yield:

2,6-dihydroxy-3-cyano-4-(trifluoromethyl)pyridine (3335-46-4) → 2,6-dichloro-4-trifluoromethyl-3-pyridine carboxamide (158063-67-3)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate / 20 h / Reflux

2: sulfuric acid / 1 h / 100 °C

With sulfuric acid; trichlorophosphate;

Reference yield: 95.0%

2,6-dichloro-4-trifluoromethyl-3-pyridine carboxamide (158063-67-3) → 2,6-dichloro-4-trifluoromethylnicotinic acid (503437-19-2)

Guidance literature:

With sulfuric acid; water; sodium nitrite; at 20 - 60 ℃; for 18.25h;

upstream raw materials:

2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile

2,6-dihydroxy-3-cyano-4-(trifluoromethyl)pyridine

Downstream raw materials:

2,6-dichloro-4-trifluoromethylnicotinic acid

2-chloro-6-(2,3-difluorophenyl)-4-trifluoromethylnicotinamide

2-chloro-6-(3,5-difluorophenyl)-4-trifluoromethylnicotinamide

2-Chloro-6-(3-fluoro-4-methylphenyl)-4-(trifluoromethyl)nicotinamide

Refernces

• 1、 -. "Preparation method and equipment of 4-trifluoromethyl-nicotinic acid". Paragraph 0021; 0025; 0031; 0035; 0038; 0042; 0045; 0049. . Retrieved 2019/02/04.
• 2、 -. "Nicotinamide compound as well as preparation method and application thereof". Paragraph 0043; 0048-0049. . Retrieved 2018/03/01.