Pyridine, 2-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-

Base Information

• Chemical Name: Pyridine, 2-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-
• CAS No.: 583052-20-4
• Molecular Formula: C14H9F6N
• Molecular Weight: 305.223
• DSSTox Substance ID: DTXSID30479285
• Nikkaji Number: J2.117.989B
• Wikidata: Q82313273
• Mol file: 583052-20-4.mol

Synonyms:Pyridine, 2-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-;583052-20-4;SCHEMBL1092259;DTXSID30479285;QTHYYZWLKATFHB-UHFFFAOYSA-N

Chemical Property of Pyridine, 2-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 305.06391826
• Heavy Atom Count: 21
• Complexity: 328

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=NC=C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Technology Process of Pyridine, 2-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-

There total 4 articles about Pyridine, 2-[3,5-bis(trifluoromethyl)phenyl]-4-methyl- 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: 91.0%

2-chloro-4-picoline (3678-62-4) + 3,5-bis-trifluromethylphenylboronic acid (73852-19-4) → 2-(3',5'-bis-trifluoromethylphenyl)-4-methylpyridine (583052-20-4)

Guidance literature:

With cesium fluoride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In 1,4-dioxane; at 20 ℃; for 12h;

DOI:10.1016/j.jorganchem.2007.06.026

Reference yield: 91.0%

2-chloro-4-picoline (3678-62-4) + di-tert-butyl-trimethylsilanylmethyl-phosphine + 3,5-bis-trifluromethylphenylboronic acid (73852-19-4) → 2-(3',5'-bis-trifluoromethylphenyl)-4-methylpyridine (583052-20-4)

Guidance literature:

With cesium fluoride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In 1,4-dioxane; at 20 ℃; for 12h;

Reference yield: 67.0%

C15H27BNO3(1-)*Li(1+) + 3,6-bis(trifluoromethyl)bromobenzene (328-70-1) → 2-(3',5'-bis-trifluoromethylphenyl)-4-methylpyridine (583052-20-4)

Guidance literature:

With potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; C₃₁H₂₅F₄O₅P; In 1,4-dioxane; at 110 ℃; for 24h; Inert atmosphere;

DOI:10.1055/s-0029-1218020

upstream raw materials:

2-chloro-4-picoline

3,5-bis-trifluromethylphenylboronic acid

3,6-bis(trifluoromethyl)bromobenzene

Downstream raw materials:

platinum(II) [4,6-bis(trifluoromethyl)-2-(4-methyl-2-pyridinyl-κN)phenyl-κC][3-(diphenylphosphino)-1,1,1-trifluoro-2-(trifluoromethyl)-2-propanolato-κO,κP]