2-Amino-5-chloro-3-iodobenzoic acid

Base Information

• Chemical Name: 2-Amino-5-chloro-3-iodobenzoic acid
• CAS No.: 64724-23-8
• Molecular Formula: C7H5ClINO2
• Molecular Weight: 297.48
• Hs Code.: 2916399090
• European Community (EC) Number: 807-527-2

Synonyms:2-AMINO-5-CHLORO-3-IODOBENZOIC ACID;64724-23-8;SCHEMBL951022;VJRDUSOUTARJDM-UHFFFAOYSA-N;MFCD07780627;2-amino-5-chloro-3-iodo-benzoic acid;SB82562;PS-11625;2-AMINO-5-CHLORO-3-IODOBENZOICACID;CS-0060169;W17253;EN300-5745942

Chemical Property of 2-Amino-5-chloro-3-iodobenzoic acid

Chemical Property:

• Melting Point: 246-247 °C
• Boiling Point: 390.6±42.0 °C(Predicted)
• PKA: 4.22±0.10(Predicted)
• PSA: 63.32000
• Density: 2.151±0.06 g/cm3(Predicted)
• LogP: 2.80620
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 296.90535
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-5-chloro-3-iodobenzoic acid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C(=O)O)N)I)Cl

Technology Process of 2-Amino-5-chloro-3-iodobenzoic acid

There total 2 articles about 2-Amino-5-chloro-3-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: 93.0%

methyl 2-amino-5-chloro-3-iodobenzoate (289039-84-5) → 2-amino-5-chloro-3-iodobenzoic acid (64724-23-8)

Guidance literature:

methyl 2-amino-5-chloro-3-iodobenzoate; With sodium hydroxide; In ethanol; at 0 ℃; for 0.25h;

With hydrogenchloride; In water; pH=5;

DOI:10.1039/c6md00242k

Reference yield:

5-chloroanthranilic acid (635-21-2) → 2-amino-5-chloro-3-iodobenzoic acid (64724-23-8)

Guidance literature:

With Iodine monochloride;

Reference yield: 40.0%

2-amino-5-chloro-3-iodobenzoic acid (64724-23-8) + copper(l) cyanide → 4-chloro-6-cyanoanthranilic acid

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; for 5h; Reflux;

DOI:10.1016/j.bmcl.2013.09.076

upstream raw materials:

5-chloroanthranilic acid

methyl 2-amino-5-chloro-3-iodobenzoate

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