4-(Bromomethyl)-2-(trifluoromethyl)pyridine

Base Information

• Chemical Name: 4-(Bromomethyl)-2-(trifluoromethyl)pyridine
• CAS No.: 1227585-56-9
• Molecular Formula: C₇H₅BrF₃N
• Molecular Weight: 240.023
• DSSTox Substance ID: DTXSID40696103
• Wikidata: Q82625541
• Mol file: 1227585-56-9.mol

Synonyms:4-(Bromomethyl)-2-(trifluoromethyl)pyridine;1227585-56-9;4-BROMOMETHYL-2-TRIFLUOROMETHYL-PYRIDINE;4-bromomethyl-2-(trifluoromethyl)pyridine;Pyridine, 4-(bromomethyl)-2-(trifluoromethyl)-;SCHEMBL16388355;DTXSID40696103;MFCD15526799;SB32032;BS-52981;4-(bromomethyl)2-(trifluoromethyl)pyridine;A51205;EN300-2398922;A903207

Chemical Property of 4-(Bromomethyl)-2-(trifluoromethyl)pyridine

Chemical Property:

• PSA: 12.89000
• LogP: 2.99530
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 238.95575
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

97% ^*data from raw suppliers

4-(Bromomethyl)-2-(trifluoromethyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C=C1CBr)C(F)(F)F

Technology Process of 4-(Bromomethyl)-2-(trifluoromethyl)pyridine

There total 1 articles about 4-(Bromomethyl)-2-(trifluoromethyl)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:

<2-(trifluoromethyl)pyridin-4-yl>methanol (131747-61-0) → (2-trifluoromethylpyridin-4-yl)methyl bromide (1227585-56-9)

Guidance literature:

With phosphorus tribromide; In dichloromethane; at 23 ℃; Inert atmosphere;

Reference yield:

(2-trifluoromethylpyridin-4-yl)methyl bromide (1227585-56-9) → 4-[[3-(4-fluorophenyl)-5-(methylsulfonyl)-1H-1,2,4-triazole-1-yl]methyl]-2-(trifluoromethyl)pyridine

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 16 h / 20 °C

2: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 20 °C

With potassium carbonate; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; N,N-dimethyl-formamide;

Reference yield:

(2-trifluoromethylpyridin-4-yl)methyl bromide (1227585-56-9) → 4-[[5-ethoxy-3-(4-fluorophenyl)-1H-1,2,4-triazol-1-yl]methyl]-2-(trifluoromethyl)pyridine

Guidance literature:

Multi-step reaction with 3 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 16 h / 20 °C

2.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 20 °C

3.1: sodium hydride / mineral oil / 0.25 h

3.2: 19 h / 20 - 65 °C

With sodium hydride; potassium carbonate; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; N,N-dimethyl-formamide; mineral oil;

upstream raw materials:

<2-(trifluoromethyl)pyridin-4-yl>methanol

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