4-Fluoro-2-iodobenzoic acid

Base Information

• Chemical Name: 4-Fluoro-2-iodobenzoic acid
• CAS No.: 56096-89-0
• Molecular Formula: C7H4FIO2
• Molecular Weight: 266.01
• Hs Code.: 29163990
• European Community (EC) Number: 624-102-5
• DSSTox Substance ID: DTXSID70501170
• Wikidata: Q72473569
• Mol file: 56096-89-0.mol

Synonyms:4-fluoro-2-iodobenzoic acid;56096-89-0;4-Fluoro-2-Iodobenzoicacid;2-Iodo-4-fluorobenzoic acid;MFCD04108278;Benzoic acid, 4-fluoroiodo-;4-Fluoro-2-iodo-benzoic acid;Benzoic acid, 4-fluoro-2-iodo-;SCHEMBL1588995;DTXSID70501170;DUKFTVLJAXWGPI-UHFFFAOYSA-N;4-Fluoro-2-iodobenzoic acid, 97%;CK1080;AKOS000140853;AC-3965;AM61595;CS-W014051;PS-7327;NCGC00338400-01;SY047057;A1736;FT-0649051;EN300-39483;AB01331058-02;J-515335;Z239685232;3-CHLORO-4-[2-(4-CHLOROPHENYL)HYDRAZONO]-2-(4-METHOXYPHENOXY)BUT-2-ENOICACID

Chemical Property of 4-Fluoro-2-iodobenzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 140-147
• Refractive Index: 1.638
• Boiling Point: 309.364 °C at 760 mmHg
• PKA: 2.80±0.10(Predicted)
• Flash Point: 140.899 °C
• PSA: 37.30000
• Density: 2.074 g/cm³
• LogP: 2.12850
• Storage Temp.: 2-8°C(protect from light)
• Sensitive.: Light Sensitive
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 265.92401
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

98% ^*data from raw suppliers

4-Fluoro-2-iodobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,T
• Hazard Codes: Xi,T
• Statements: 25-36/37/38
• Safety Statements: 26-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Fluoro-2-iodobenzoic acid

There total 6 articles about 4-Fluoro-2-iodobenzoic acid 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: 85.0%

4-fluoro-2.iodobenzaldehyde (909545-47-7) → 4-fluoro-2-iodobenzoic acid (56096-89-0)

Guidance literature:

With sodium chlorite; aminosulfonic acid; In water; acetone; at 20 ℃; for 3.5h;

DOI:10.1016/j.tetlet.2013.07.118

Reference yield: 82.0%

4-Fluorobenzoic acid (456-22-4) → 4-fluoro-2-iodobenzoic acid (56096-89-0)

Guidance literature:

With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; iodine; silver(I) acetate; triethylamine; at 23 ℃; for 18h; regioselective reaction; Sealed tube;

DOI:10.1002/chem.202002204

Reference yield: 60.0%

4-fluoroanthranilic acid (446-32-2) → 4-fluoro-2-iodobenzoic acid (56096-89-0)

Guidance literature:

upstream raw materials:

4-fluoroanthranilic acid

4-fluorobenzaldehyde

4-fluoro-2.iodobenzaldehyde

4-Fluorobenzoic acid

Downstream raw materials:

2-[5-(2-tert-butoxycarbonylamino-2-methoxycarbonylethyl)-2-methoxyphenylamino]-4-fluorobenzoic acid

5-fluorodiphenyl-iodonium-2-carboxylate

7-fluoro-2-phenylquinazolin-4(3Η)-one

4-fluoro-2-(3-methoxyphenylthio)benzoyl chloride

Refernces

• 1、 Weis, Erik,Johansson, Magnus J.,Martín-Matute, Belén. "IrIII-Catalyzed Selective ortho-Monoiodination of Benzoic Acids with Unbiased C?H Bonds". supporting information. p. 10185 - 10190. Retrieved 2020/07/31.
• 2、 Guo, Cui,Huang, Kanglun,Wang, Bo,Xie, Longguang,Xu, Xiaohua. "Palladium-catalyzed annulation reactions of methyl o-halobenzoates with azabicyclic alkenes: A general protocol for the construction of benzo[c]phenanthridine derivatives". . p. 17271 - 17280. Retrieved 2013/09/24.