4-Iodophenyl 3-fluorobenzoate

Base Information

• Chemical Name: 4-Iodophenyl 3-fluorobenzoate
• CAS No.: 314080-12-1
• Molecular Formula: C₁₃H₈FIO₂
• Molecular Weight: 342.108
• DSSTox Substance ID: DTXSID801307435
• Mol file: 314080-12-1.mol

Synonyms:4-Iodophenyl 3-fluorobenzoate;DTXSID801307435;AKOS000518814;314080-12-1

Chemical Property of 4-Iodophenyl 3-fluorobenzoate

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 341.95531
• Heavy Atom Count: 17
• Complexity: 264

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)C(=O)OC2=CC=C(C=C2)I

Technology Process of 4-Iodophenyl 3-fluorobenzoate

There total 1 articles about 4-Iodophenyl 3-fluorobenzoate 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:

m-Fluorotoluene (352-70-5) → 4-iodophenyl 3-fluorobenzoate (314080-12-1)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂Cr₂O₇; H₂SO₄ / H₂O

2: dicyclohexylcarbodiimide; DMAP / tetrahydrofuran / 20 °C

With potassium dichromate; sulfuric acid; dmap; dicyclohexyl-carbodiimide; In tetrahydrofuran; water;

DOI:10.1080/10587250008024803

Reference yield:

4-iodophenyl 3-fluorobenzoate (314080-12-1) + 4-heptyloxytetrafluorophenylacetylene (149083-67-0) → [(4-(4-n-heptyloxy-2,3,5,6-tetrafluorophenyl)ethynyl)phenyl] 3-fluoro benzoate

Guidance literature:

bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In triethylamine; Heating;

DOI:10.1080/10587250008024417

Reference yield:

4-iodophenyl 3-fluorobenzoate (314080-12-1) + p-n-hexyloxyphenylacetylene (79887-17-5) → [4-(4'-n-hexyloxyphenyl)acetylenyl]phenyl 3-fluorobenzoate

Guidance literature:

With triethylamine; triphenylphosphine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; for 2h; Heating;

DOI:10.1080/10587250008024803

upstream raw materials:

m-Fluorotoluene