4-chloro-N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)benzamide

Base Information

• Chemical Name: 4-chloro-N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)benzamide
• CAS No.: 865285-29-6
• Molecular Formula: C₁₅H₉ClFN₃O₂
• Molecular Weight: 317.707
• European Community (EC) Number: 806-263-5
• Nikkaji Number: J3.181.514B
• ChEMBL ID: CHEMBL2098190
• Mol file: 865285-29-6.mol

Synonyms:KKL-35

Chemical Property of 4-chloro-N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)benzamide

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 317.0367324
• Heavy Atom Count: 22
• Complexity: 385

Purity/Quality:

97% ^*data from raw suppliers

KKL-35 ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)Cl)F

Technology Process of 4-chloro-N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)benzamide

There total 3 articles about 4-chloro-N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)benzamide 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: 48.0%

→ N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-4-(chloro)benzamide (865285-29-6)

Guidance literature:

With pyridine; at 20 ℃;

Reference yield:

4-fluorobenzaldehyde (459-57-4) → N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-4-(chloro)benzamide (865285-29-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium acetate / water

1.2: 0.5 h / 20 °C

2.1: sodium acetate; acetic acid

2.2: 1 h / 20 - 60 °C

3.1: pyridine / 18 h / 20 °C

With pyridine; sodium acetate; acetic acid; In water;

DOI:10.1016/j.ejmech.2018.11.036

Reference yield:

(E)-2-(4-fluorobenzylidene)hydrazine-1-carboxamide (120445-38-7) → N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-4-(chloro)benzamide (865285-29-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium acetate; acetic acid

1.2: 1 h / 20 - 60 °C

2.1: pyridine / 18 h / 20 °C

With pyridine; sodium acetate; acetic acid;

DOI:10.1016/j.ejmech.2018.11.036

upstream raw materials:

4-fluorobenzaldehyde

(E)-2-(4-fluorobenzylidene)hydrazine-1-carboxamide