2-(4-Fluorophenyl)-3-methylpyridine

Base Information

• Chemical Name: 2-(4-Fluorophenyl)-3-methylpyridine
• CAS No.: 101419-76-5
• Molecular Formula: C12H10 F N
• Molecular Weight: 187.217
• DSSTox Substance ID: DTXSID40544776
• Nikkaji Number: J2.334.117D
• Wikidata: Q82422039
• Mol file: 101419-76-5.mol

Synonyms:2-(4-fluorophenyl)-3-methylpyridine;101419-76-5;SCHEMBL1259263;DTXSID40544776;SMLRZUKZRWULBE-UHFFFAOYSA-N;MFCD09037513;AKOS006330773;2-(4-fluorophenyl)-3-methyl-pyridine

Chemical Property of 2-(4-Fluorophenyl)-3-methylpyridine

Chemical Property:

• Vapor Pressure: 0.0123mmHg at 25°C
• Refractive Index: 1.551
• Boiling Point: 269°Cat760mmHg
• Flash Point: 116.5°C
• PSA: 12.89000
• Density: 1.111g/cm³
• LogP: 3.19610
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 187.079727485
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-FLUOROPHENYL)-3-METHYLPYRIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-Fluorophenyl)-3-methylpyridine

There total 3 articles about 2-(4-Fluorophenyl)-3-methylpyridine 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-bromo-3-picoline (3430-17-9) + 4-fluoroboronic acid (1765-93-1) → 2-(4-fluorophenyl)-3-methylpyridine (101419-76-5)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium phosphate monohydrate; XPhos; In 1,4-dioxane; water; at 100 ℃; for 16h; Sealed tube; Inert atmosphere;

DOI:10.1039/C8NJ02734J

Reference yield:

2-bromo-3-picoline (3430-17-9) + 4-flourophenylmagnesium bromide (352-13-6) → 2-(4-fluorophenyl)-3-methylpyridine (101419-76-5)

Guidance literature:

[1,4-bis(diphenylphosphino)butane] palladium(ll) dichloride; In tetrahydrofuran; for 6h; Heating / reflux;

Reference yield:

2-fluoro-3-methylpyridine (2369-18-8) + 1-Bromo-4-fluorobenzene (460-00-4) → 2-(4-fluorophenyl)-3-methylpyridine (101419-76-5)

Guidance literature:

With n-butyllithium; fluoropicoline; Yield given. Multistep reaction; 1.) diethyl ether, -65 deg C, 1 h, 2.) diethyl ether, -40 deg C to -30 deg C, 30 min;

DOI:10.1021/jo00361a015

upstream raw materials:

2-fluoro-3-methylpyridine

1-Bromo-4-fluorobenzene

2-bromo-3-picoline

4-flourophenylmagnesium bromide

Downstream raw materials:

2-(4-fluorophenyl)-3-pyridinecarboxylic acid

2-(4-fluorophenyl)-3-methylpyridine 1-oxide

2-(4-fluoro-2-((triisopropylsilyl)ethynyl)phenyl)-3-methylpyridine

2-(2-chloro-4-fluorophenyl)-3-methylpyridine