1-Fluoro-2-iodo-4-methoxybenzene

Base Information

• Chemical Name: 1-Fluoro-2-iodo-4-methoxybenzene
• CAS No.: 1028263-94-6
• Molecular Formula: C₇H₆FIO
• Molecular Weight: 252.027
• Hs Code.: 2909309090
• European Community (EC) Number: 969-863-7
• Mol file: 1028263-94-6.mol

Synonyms:4-Fluoro-3-iodoanisole;1-fluoro-2-iodo-4-methoxybenzene;1028263-94-6;MFCD16295276;SCHEMBL15718550;YVAOSHLRHPIXQT-UHFFFAOYSA-N;AKOS017555838;AS-82362;SY345847;CS-0195314;FT-0718644;EN300-246234

Chemical Property of 1-Fluoro-2-iodo-4-methoxybenzene

Chemical Property:

• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 251.94474
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98.5% ^*data from raw suppliers

1-Fluoro-2-iodo-4-methoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)F)I

Technology Process of 1-Fluoro-2-iodo-4-methoxybenzene

There total 1 articles about 1-Fluoro-2-iodo-4-methoxybenzene 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:

1-fluoro-4-methoxybenzene (459-60-9) → 1-fluoro-2-iodo-4-methoxybenzene (1028263-94-6)

Guidance literature:

1-fluoro-4-methoxybenzene; With [(dioxane)0.5*NaFe{N(SiMe₃)₂}₃]; In benzene; at 50 ℃; for 120h; Inert atmosphere; Schlenk technique; Glovebox;

With iodine; at 20 ℃; for 1h; regioselective reaction; Inert atmosphere; Schlenk technique; Glovebox;

DOI:10.1002/anie.201709750

Reference yield: 13.0%

1-fluoro-2-iodo-4-methoxybenzene (1028263-94-6) + (S)-(-)-3-(hydroxymethyl)pyrrolidine (110013-19-9) → (S)-(1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-yl)methanol (1610033-33-4)

Guidance literature:

With potassium phosphate; copper(l) iodide; dimethylethanolamine; at 60 ℃; for 24h;

Reference yield:

1-fluoro-2-iodo-4-methoxybenzene (1028263-94-6) → 2-((2R,4R)-1-(4-(((R)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-yl)methoxy)phenyl)-4-(trifluoromethyl)pyrrolidin-2-yl)acetonitrile

Guidance literature:

Multi-step reaction with 2 steps

1: copper(l) iodide; potassium phosphate monohydrate; 2-(N,N-dimethylamino)ethanol / 24 h / 60 °C / Inert atmosphere

2: triphenylphosphine; di-isopropyl azodicarboxylate / toluene / 0 - 20 °C / Inert atmosphere

With copper(l) iodide; 2-(N,N-dimethylamino)ethanol; potassium phosphate monohydrate; di-isopropyl azodicarboxylate; triphenylphosphine; In toluene; 2: |Mitsunobu Displacement;

DOI:10.1021/acs.jmedchem.7b00982

upstream raw materials:

1-fluoro-4-methoxybenzene

Downstream raw materials:

(S)-(1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-yl)methanol