5-Chloro-2-iodobenzoic acid

Base Information

• Chemical Name: 5-Chloro-2-iodobenzoic acid
• CAS No.: 13421-00-6
• Molecular Formula: C7H4ClIO2
• Molecular Weight: 282.465
• Hs Code.: 29163990
• Mol file: 13421-00-6.mol

Synonyms:2-Iodo-5-chlorobenzoicacid;

Chemical Property of 5-Chloro-2-iodobenzoic acid

Chemical Property:

• Vapor Pressure: 4.42E-05mmHg at 25°C
• Melting Point: 172-174°C
• Refractive Index: 1.673
• Boiling Point: 336.352 °C at 760 mmHg
• PKA: 2.49±0.10(Predicted)
• Flash Point: 157.22 °C
• PSA: 37.30000
• Density: 2.077 g/cm³
• LogP: 2.64280
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature

Purity/Quality:

98%min ^*data from raw suppliers

5-Chloro-2-iodobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: R36/37/38:
• Statements: 36/37/38-41
• Safety Statements: 26-36/37/39-39-28

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-Chloro-2-iodobenzoic acid

There total 10 articles about 5-Chloro-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: 74.0%

3-chlorobenzoate (535-80-8) → 3-chloro-2,6-diiodobenzoic acid + 5-chloro-2-iodo-benzoic acid (13421-00-6)

Guidance literature:

With [bis(acetoxy)iodo]benzene; iodine; palladium diacetate; tetra-(n-butyl)ammonium iodide; In 1,2-dichloro-ethane; at 20 - 100 ℃;

DOI:10.1002/anie.200705613

Reference yield: 58.0%

3-chlorobenzoate (535-80-8) → 5-chloro-2-iodo-benzoic acid (13421-00-6) + 3-chloro-2-iodo-benzoic acid (123278-03-5)

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:

C7H5ClN2O3 → 5-chloro-2-iodo-benzoic acid (13421-00-6)

Guidance literature:

With potassium iodide; In water; at 0 ℃;

upstream raw materials:

4-chloro-1-iodo-2-methylbenzene

2-ethyl-4-chloro-1-iodo-benzene

5-chloroanthranilic acid

nitric acid

Downstream raw materials:

5-chloro-2-(4-fluorophenylthio)benzoic acid

5-Chloro-2-(4-ethoxycarbonyl-phenoxy)-benzoic acid

5-chloro-2-(4-isopropylphenylthio)benzoic acid

ethyl 3-<2-(2-carboxy-4-chlorophenylthio)phenyl>propionate

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、 Yakura, Takayuki,Fujiwara, Tomoya,Yamada, Akihiro,Nambu, Hisanori. "2-Iodo-N-isopropyl-5-methoxybenzamide as a highly reactive and environmentally benign catalyst for alcohol oxidation". supporting information. p. 971 - 978. Retrieved 2019/11/11.