2-Fluoro-4-iodobenzoic acid

Base Information

• Chemical Name: 2-Fluoro-4-iodobenzoic acid
• CAS No.: 124700-40-9
• Molecular Formula: C7H4FIO2
• Molecular Weight: 266.01
• Hs Code.: 2916399090
• European Community (EC) Number: 630-207-7
• DSSTox Substance ID: DTXSID60379067
• Wikidata: Q72473565
• Mol file: 124700-40-9.mol

Synonyms:2-fluoro-4-iodobenzoic acid;124700-40-9;Benzoic acid, 2-fluoro-4-iodo-;MFCD03094173;2-fluoro-4-iodo-benzoic Acid;2-Fluoro-4-Iodobenzoicacid;2-fluoro4-iodobenzoic acid;2-Fluoro-4iodobenzoic acid;SCHEMBL2920384;DTXSID60379067;OLQSJAFBRCOGPQ-UHFFFAOYSA-N;BBL102516;STL556319;AKOS005063938;AM61300;CS-W002999;PB40067;PS-7325;SY016504;FT-0656050;EN300-97409;J-509405;Z1269165993

Chemical Property of 2-Fluoro-4-iodobenzoic acid

Chemical Property:

• Vapor Pressure: 0.000346mmHg at 25°C
• Melting Point: 213-215℃
• Refractive Index: 1.637
• Boiling Point: 305.999 °C at 760 mmHg
• PKA: 3.09±0.10(Predicted)
• Flash Point: 138.863 °C
• PSA: 37.30000
• Density: 2.074 g/cm³
• LogP: 2.12850
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.3
• 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:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1I)F)C(=O)O

Technology Process of 2-Fluoro-4-iodobenzoic acid

There total 11 articles about 2-Fluoro-4-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: 96.0%

carbon dioxide (124-38-9,18923-20-1) + 1,4-diiodo-2-fluorobenzene (147808-02-4) → 2-fluoro-4-iodo-benzoic acid (124700-40-9)

Guidance literature:

With isopropylmagnesium chloride; In diethyl ether; at 0 ℃;

DOI:10.1002/1099-0690(200210)2002:19<3351::AID-EJOC3351>3.0.CO;2-I

Reference yield: 73.0%

2-fluoro-4-iodotoluene (39998-81-7) → 2-fluoro-4-iodo-benzoic acid (124700-40-9)

Guidance literature:

With pyridine; potassium permanganate; water; at 70 ℃; for 24h;

Reference yield:

fluorobenzene (462-06-6) → 2-fluoro-4-iodo-benzoic acid (124700-40-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 91 percent / sec-BuLi; I₂ / tetrahydrofuran; cyclohexane / -75 °C

2: 61 percent / lithium 2,2,6,6-tetramethylpiperidine / tetrahydrofuran; hexane / 2 h / -75 °C

3: 95 percent / iodine chloride / CCl₄ / 15 h / Heating

4: 96 percent / iPrMgCl / diethyl ether / 0 °C

With 2,2,6,6-tetramethylpiperidinyl-lithium; iodine; sec.-butyllithium; isopropylmagnesium chloride; Iodine monochloride; In tetrahydrofuran; tetrachloromethane; diethyl ether; hexane; cyclohexane;

DOI:10.1002/1099-0690(200210)2002:19<3351::AID-EJOC3351>3.0.CO;2-I

upstream raw materials:

carbon dioxide

1,4-diiodo-2-fluorobenzene

fluorobenzene

1-Fluoro-3-iodobenzene

Downstream raw materials:

methyl-2-fluoro-4-iodo-benzoate

ethyl 2-fluoro-4-iodobenzoate