3-Fluoro-4-iodophenol

Base Information

• Chemical Name: 3-Fluoro-4-iodophenol
• CAS No.: 122927-84-8
• Molecular Formula: C6H4 F I O
• Molecular Weight: 238
• European Community (EC) Number: 810-338-8
• DSSTox Substance ID: DTXSID70564503
• Wikidata: Q72473679
• Mol file: 122927-84-8.mol

Synonyms:3-FLUORO-4-IODOPHENOL;122927-84-8;Phenol, 3-fluoro-4-iodo-;MFCD12407087;3-Floro-4-iodophenol;3-Fluoro-4-iodophenol;SCHEMBL2326382;AMY2759;DTXSID70564503;CSQWLXZVUXRZFL-UHFFFAOYSA-N;BCP05732;AKOS007930909;MB11930;DS-17428;SY112922;CS-0157045;A890875

Chemical Property of 3-Fluoro-4-iodophenol

Chemical Property:

• Boiling Point: 269.5℃
• Flash Point: 117℃
• PSA: 20.23000
• Density: 2.085
• LogP: 2.13590
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 237.92909
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

97% ^*data from raw suppliers

3-Fluoro-4-iodophenol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)F)I

Technology Process of 3-Fluoro-4-iodophenol

There total 2 articles about 3-Fluoro-4-iodophenol 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: 53.3%

4-amino-3-fluorophenol (399-95-1) → 3-fluoro-4-iodophenol (122927-84-8)

Guidance literature:

With sulfuric acid; potassium iodide; sodium nitrite; In water-d2; at 20 - 80 ℃; for 4h;

Reference yield:

3-fluoro-4-nitrophenol (394-41-2) → 3-fluoro-4-iodophenol (122927-84-8)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium 10% on activated carbon; hydrogen / tetrahydrofuran; ethanol / 16 h

2: sodium nitrite; potassium iodide; sulfuric acid / water-d2 / 4 h / 20 - 80 °C

With sulfuric acid; palladium 10% on activated carbon; hydrogen; potassium iodide; sodium nitrite; In tetrahydrofuran; ethanol; water-d2;

Reference yield: 97.0%

3-fluoro-4-iodophenol (122927-84-8) + tert-butyldimethylsilyl chloride (18162-48-6) → tert-butyl(3-fluoro-4-iodophenoxy)dimethylsilane

Guidance literature:

With 1H-imidazole; In N,N-dimethyl-formamide; at 20 ℃; for 2.08333h; Inert atmosphere;

DOI:10.1016/j.bmc.2017.06.028

upstream raw materials:

4-amino-3-fluorophenol

3-fluoro-4-nitrophenol

Downstream raw materials:

2-((2S,3S,4R)-1-(4-(((3,4-trans)-1-(5-chloro-2-methoxypyridin-4-yl)-3-methylpiperidin-4-yl)oxy)-2-fluorophenyl)-4-methoxy-3-methylpyrrolidin-2-yl)acetic acid

((2R,3S,4R)-1-(4-(((3,4-trans)-1-(5-chloro-2-methoxypyridin-4-yl)-3-methylpiperidin-4-yl)oxy)-2-fluorophenyl)-4-methoxy-3-methylpyrrolidin-2-yl)methanol

2-((2S,3S,4R)-1-(4-(((3,4-trans)-1-(5-chloro-2-methoxypyridin-4-yl)-3-methylpiperidin-4-yl)oxy)-2-fluorophenyl)-4-methoxy-3-methylpyrrolidin-2-yl)acetonitrile

methyl 2-((2S,3S,4R)-1-(4-(((3,4-trans)-1-(5-chloro-2-methoxypyridin-4-yl)-3-methylpiperidin-4-yl)oxy)-2-fluorophenyl)-4-methoxy-3-methylpyrrolidin-2-yl)acetate

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