5-(Bromomethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole

Base Information

• Chemical Name: 5-(Bromomethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole
• CAS No.: 66046-45-5
• Molecular Formula: C11H7BrF3NO
• Molecular Weight: 306.082
• DSSTox Substance ID: DTXSID20605672
• Wikidata: Q82503995
• Mol file: 66046-45-5.mol

Synonyms:5-(Bromomethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole;66046-45-5;SCHEMBL11484346;DTXSID20605672;MWWCXSRHXJUYLZ-UHFFFAOYSA-N;MFCD18911022;AKOS013476648;5-Bromomethyl-3-(4-trifluoromethyl-phenyl)-isoxaZole;5-(Bromomethyl)-3-(4-(trifluoromethyl)phenyl)isoxazole

Chemical Property of 5-(Bromomethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 304.96631
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NOC(=C2)CBr)C(F)(F)F

Technology Process of 5-(Bromomethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole

There total 2 articles about 5-(Bromomethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole 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:

α,α,α-trifluoro-p-tolualdehyde oxime (16939-49-4) + propargyl bromide (106-96-7) → 5-bromomethyl-3-(4-trifluoromethyl-phenyl)-isoxazole (66046-45-5)

Guidance literature:

Reference yield:

→ 5-bromomethyl-3-(4-trifluoromethyl-phenyl)-isoxazole (66046-45-5)

Guidance literature:

Oxim, Cl2, Propargylbromid;

Reference yield:

5-bromomethyl-3-(4-trifluoromethyl-phenyl)-isoxazole (66046-45-5) → 5-aminomethyl-3-(4-trifluoromethylphenyl)-isoxazole (66046-41-1)

Guidance literature:

With hydrogenchloride; hexamethylenetetramine; In methanol;

upstream raw materials:

α,α,α-trifluoro-p-tolualdehyde oxime

propargyl bromide

Downstream raw materials:

5-aminomethyl-3-(4-trifluoromethylphenyl)-isoxazole