Ethyl 2-Fluoro-4-iodobenzoate

Base Information

• Chemical Name: Ethyl 2-Fluoro-4-iodobenzoate
• CAS No.: 205750-82-9
• Molecular Formula: C9H8FIO2
• Molecular Weight: 294.064
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00596039
• Wikidata: Q72474907
• Mol file: 205750-82-9.mol

Synonyms:Ethyl 2-Fluoro-4-iodobenzoate;205750-82-9;Benzoic acid, 2-fluoro-4-iodo-, ethyl ester;MFCD11846099;Ethyl2-fluoro-4-iodobenzoate;SCHEMBL539982;DTXSID00596039;ZXUWYQWFYLDBII-UHFFFAOYSA-N;AKOS015890641;FS-5768;SY287729;DB-351395;CS-0094419;F20084;A814710

Chemical Property of Ethyl 2-Fluoro-4-iodobenzoate

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.567
• Boiling Point: 299.185ºC at 760 mmHg
• Flash Point: 134.743ºC
• PSA: 26.30000
• Density: 1.729g/cm3
• LogP: 2.60700
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 293.95531
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 2-fluoro-4-iodobenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=C(C=C1)I)F

Technology Process of Ethyl 2-Fluoro-4-iodobenzoate

There total 1 articles about Ethyl 2-Fluoro-4-iodobenzoate 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:

2-fluoro-4-iodo-benzoic acid (124700-40-9) → ethyl 2-fluoro-4-iodobenzoate (205750-82-9)

Guidance literature:

In ethanol; hexane; ethyl acetate;

Reference yield: 86.0%

(4,4-dimethylthiochroman-6-yl)acetylene (118292-06-1) + ethyl 2-fluoro-4-iodobenzoate (205750-82-9) → ethyl 2-fluoro-4-((4,4-dimethylthiochroman-6-yl)ethynyl)benzoate

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In N,N-dimethyl-formamide; at 80 ℃; for 6h; Inert atmosphere;

Reference yield: 78.0%

ethyl 2-fluoro-4-iodobenzoate (205750-82-9) + 6-ethynyl-2,2,-dimethylthiochroman-4-one (229961-91-5) → ethyl 4-<(2,2-dimethyl-4-oxothiochroman-6-yl)ethynyl>-2-fluorobenzoate (229961-35-7)

Guidance literature:

With copper(l) iodide; triethylamine; bis-triphenylphosphine-palladium(II) chloride; Ambient temperature;

DOI:10.1016/S0968-0896(99)00055-3

upstream raw materials:

2-fluoro-4-iodo-benzoic acid

Downstream raw materials:

ethyl 2-fluoro-4-<(2,2-dimethyl-4-oxo-chroman-6-yl)ethynyl>-benzoate

ethyl 4-<(2,2-dimethyl-4-oxothiochroman-6-yl)ethynyl>-2-fluorobenzoate