5-(Chloromethyl)-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole

Base Information

• Chemical Name: 5-(Chloromethyl)-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
• CAS No.: 937629-46-4
• Molecular Formula: C₁₀H₈ClFN₂O
• Molecular Weight: 226.638
• European Community (EC) Number: 865-495-5
• Mol file: 937629-46-4.mol

Synonyms:5-(CHLOROMETHYL)-3-(4-FLUORO-3-METHYLPHENYL)-1,2,4-OXADIAZOLE;937629-46-4;STL302016;AKOS000134777;MCULE-6472119173;CS-0231547;EN300-108811

Chemical Property of 5-(Chloromethyl)-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 226.0309187
• Heavy Atom Count: 15
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

5-(Chloromethyl)-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C2=NOC(=N2)CCl)F

Technology Process of 5-(Chloromethyl)-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole

There total 2 articles about 5-(Chloromethyl)-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole 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: 62.0%

4-fluoro-N'-hydroxy-3-methylbenzimidamide (175277-86-8) + chloroacetyl chloride (79-04-9) → 5-(chloromethyl)-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole (937629-46-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In 1,1-dichloroethane; at 0 ℃; Reflux;

DOI:10.1016/j.ejmech.2010.02.021

Reference yield:

4-fluoro-3-methylbenzonitrile (185147-08-4) → 5-(chloromethyl)-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole (937629-46-4)

Guidance literature:

Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride; sodium carbonate

2: N-ethyl-N,N-diisopropylamine / dichloromethane

With hydroxylamine hydrochloride; sodium carbonate; N-ethyl-N,N-diisopropylamine; In dichloromethane;

DOI:10.14233/ajchem.2017.20626 DOI:10.1080/14756366.2021.1900162

Reference yield: 85.0%

(5-chloro-2-hydroxyphenyl)phenylmethanone (85-19-8) + 5-(chloromethyl)-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole (937629-46-4) → {5-chloro-2-[(3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl)-methoxy]-phenyl}-(phenyl)-methanone (1229114-85-5)

Guidance literature:

With potassium carbonate; In acetone; for 8h; Reflux;

DOI:10.1016/j.ejmech.2010.02.021

upstream raw materials:

4-fluoro-N'-hydroxy-3-methylbenzimidamide

chloroacetyl chloride

4-fluoro-3-methylbenzonitrile

Downstream raw materials:

{5-chloro-2-[(3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl)-methoxy]-phenyl}-(phenyl)-methanone

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 937629-46-4 5-(chloromethyl)-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole

Send

Send

Metric Ton KG G Pound L ML

Send

Send