N-(3-fluorophenyl)-2-iodobenzamide

Base Information

• Chemical Name: N-(3-fluorophenyl)-2-iodobenzamide
• CAS No.: 300862-04-8
• Molecular Formula: C₁₃H₉FINO
• Molecular Weight: 341.123
• DSSTox Substance ID: DTXSID101295671
• Mol file: 300862-04-8.mol

Synonyms:N-(3-fluorophenyl)-2-iodobenzamide;Oprea1_116444;Oprea1_834651;DTXSID101295671;2-iodo-N-(3-fluorophenyl)benzamide;STK070107;AKOS000675527;N~1~-(3-fluorophenyl)-2-iodobenzamide;300862-04-8;AO-548/40032645

Chemical Property of N-(3-fluorophenyl)-2-iodobenzamide

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 340.97129
• Heavy Atom Count: 17
• Complexity: 274

Purity/Quality:

N-(3-FLUOROPHENYL)-2-IODOBENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)F)I

Technology Process of N-(3-fluorophenyl)-2-iodobenzamide

There total 2 articles about N-(3-fluorophenyl)-2-iodobenzamide 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:

meta-fluoroaniline (372-19-0) + 2-Iodobenzoyl chloride (609-67-6) → 2-iodo-N-(3-fluorophenyl)benzamide (300862-04-8)

Guidance literature:

With dmap; In dichloromethane; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/cg101544z

Reference yield:

meta-fluoroaniline (372-19-0) + 2-Iodobenzoic acid (88-67-5) → 2-iodo-N-(3-fluorophenyl)benzamide (300862-04-8)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; at 20 ℃;

Reference yield: 90.0%

2-iodo-N-(3-fluorophenyl)benzamide (300862-04-8) → 2-(3-fluorophenyl)benzo[d]isothiazol-3(2H)-one (1220850-03-2)

Guidance literature:

With copper(l) iodide; 1,10-Phenanthroline; potassium carbonate; sulfur; In N,N-dimethyl-formamide; at 110 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.tetlet.2012.01.003

upstream raw materials:

meta-fluoroaniline

2-Iodobenzoyl chloride

2-Iodobenzoic acid

Downstream raw materials:

2-(3-fluorophenyl)benzo[d]isothiazol-3(2H)-one