4-Fluoro-2-iodophenol

Base Information

• Chemical Name: 4-Fluoro-2-iodophenol
• CAS No.: 2713-29-3
• Molecular Formula: C6H4FIO
• Molecular Weight: 238
• Hs Code.: 2908199090
• DSSTox Substance ID: DTXSID40436324
• Nikkaji Number: J801.749B
• Wikidata: Q72483634
• Mol file: 2713-29-3.mol

Synonyms:4-Fluoro-2-iodophenol;2713-29-3;4-fluoro-2-iodo-phenol;Phenol, 4-fluoro-2-iodo-;2-iodo-4-fluorophenol;MFCD15527539;5-Fluoro-2-hydroxyiodobenzene;SCHEMBL725043;DTXSID40436324;FTTVHYAABUMDNX-UHFFFAOYSA-N;AKOS016000257;CS-W008625;MB14767;DS-13715;SY111305;AS-813/43501942

Chemical Property of 4-Fluoro-2-iodophenol

Chemical Property:

• Melting Point: 120-123℃
• Boiling Point: 196℃
• PKA: 8.53±0.18(Predicted)
• Flash Point: 73℃
• 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:

99%, ^*data from raw suppliers

4-Fluoro-2-iodophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)I)O

Technology Process of 4-Fluoro-2-iodophenol

There total 8 articles about 4-Fluoro-2-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: 97.0%

4-Fluorophenol (371-41-5) → 2-iodo-4-fluorophenol (2713-29-3)

Guidance literature:

With trichloroisocyanuric acid; iodine; In dichloromethane; at 20 ℃;

DOI:10.1590/S0103-50532010000100002

Reference yield:

4-Fluorophenol (371-41-5) → 4-fluoro-2,6-diiodophenol (392-72-3) + 2-iodo-4-fluorophenol (2713-29-3)

Guidance literature:

With iodine; ammonium hydroxide; In water; at 20 ℃; for 2.5h;

Reference yield:

4-fluoro-2-iodo-1-methoxybenzene (3824-22-4) → 2-iodo-4-fluorophenol (2713-29-3)

Guidance literature:

With hydrogen iodide; acetic anhydride;

DOI:10.1021/ja01510a021

upstream raw materials:

4-fluoro-2-iodo-1-methoxybenzene

C₁₀H₁₂FNO₂

4-Fluorophenol

1-fluoro-4-methoxybenzene

Downstream raw materials:

C₁₃H₁₀FIO

(E)-3-(5-fluoro-2-hydroxyphenyl)acrylaldehyde

5-fluoro-2-(4'-methoxyphenyl)benzo[b]furan

5-fluoro-2,3-bis(4-methoxyphenyl)benzofuran

Refernces

• 1、 Li, Xue,Chen, Haohua,Xuan, Qingqing,Mai, Shaoyu,Lan, Yu,Song, Qiuling. "Biomimetic carbene cascades enabled imine derivative migration from carbene -bearing thiocarbamates". supporting information. p. 3518 - 3523. Retrieved 2021/05/29.
• 2、 Dong, Guangbin,Liu, Peng,Wang, Jianchun,Xu, Xiaolong,Zhou, Yun. "Entry to 1,2,3,4-Tetrasubstituted Arenes through Addressing the " Meta Constraint" in the Palladium/Norbornene Catalysis". supporting information. p. 3050 - 3059. Retrieved 2020/03/10.