2,4-Dibromo-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridine

Base Information

• Chemical Name: 2,4-Dibromo-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridine
• CAS No.: 87443-36-5
• Molecular Formula: C₁₈H₁₀Br₂F₃N
• Molecular Weight: 457.087
• DSSTox Substance ID: DTXSID50515811
• Wikidata: Q82376899

Synonyms:87443-36-5;DTXSID50515811;2,4-Dibromo-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridine

Chemical Property of 2,4-Dibromo-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridine

Chemical Property:

• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 456.91116
• Heavy Atom Count: 24
• Complexity: 412

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=CN=C2Br)C3=CC(=CC=C3)C(F)(F)F)Br

Technology Process of 2,4-Dibromo-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridine

There total 3 articles about 2,4-Dibromo-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridine 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:

(Z)-3-Methylamino-2-(3-trifluoromethyl-phenyl)-acrylic acid ethyl ester (87443-25-2) → 2,4-Dibromo-3-phenyl-5-(3-trifluoromethyl-phenyl)-pyridine (87443-36-5)

Guidance literature:

Multi-step reaction with 2 steps

1: NaH / dioxane

2: POBr₃ / 0.75 h / 120 °C

With sodium hydride; phosphorus(V) oxybromide; In 1,4-dioxane;

DOI:10.1016/S0040-4039(00)88072-7

Reference yield:

Ethyl 2-phenylethanoate (101-97-3) → 2,4-Dibromo-3-phenyl-5-(3-trifluoromethyl-phenyl)-pyridine (87443-36-5)

Guidance literature:

Multi-step reaction with 2 steps

1: NaH / dioxane

2: POBr₃ / 0.75 h / 120 °C

With sodium hydride; phosphorus(V) oxybromide; In 1,4-dioxane;

DOI:10.1016/S0040-4039(00)88072-7

Reference yield:

2-Hydroxy-1-methyl-3-phenyl-5-(3-trifluoromethyl-phenyl)-1H-pyridin-4-one (87443-27-4) → 2,4-Dibromo-3-phenyl-5-(3-trifluoromethyl-phenyl)-pyridine (87443-36-5) + 4-Bromo-1-methyl-3-phenyl-5-(3-trifluoromethyl-phenyl)-1H-pyridin-2-one (87443-33-2) + 2-Bromo-1-methyl-3-phenyl-5-(3-trifluoromethyl-phenyl)-1H-pyridin-4-one (87443-30-9)

Guidance literature:

With phosphorus(V) oxybromide; at 120 ℃; for 0.75h;

DOI:10.1016/S0040-4039(00)88072-7

upstream raw materials:

2-Hydroxy-1-methyl-3-phenyl-5-(3-trifluoromethyl-phenyl)-1H-pyridin-4-one

(Z)-3-Methylamino-2-(3-trifluoromethyl-phenyl)-acrylic acid ethyl ester

Ethyl 2-phenylethanoate

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