3,5-dichloro-2-iodo-benzoic Acid

Base Information

• Chemical Name: 3,5-dichloro-2-iodo-benzoic Acid
• CAS No.: 15396-37-9
• Molecular Formula: C7H3 Cl2 I O2
• Molecular Weight: 316.91
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID50397194
• Wikidata: Q82198325
• Mol file: 15396-37-9.mol

Synonyms:3,5-dichloro-2-iodo-benzoic Acid;3,5-dichloro-2-iodobenzoic acid;15396-37-9;SCHEMBL1953444;3,5-dichloro-2-iodobenzoicacid;DTXSID50397194;DJTJHMZDOREVFA-UHFFFAOYSA-N;MFCD03968141;STL119701;AKOS000109241;MB03052;3,5-DICHLORO-2-IODO-BENZOICACID;NCGC00337769-01;BB 0245942;EN300-05085;AB01329463-02;Z56893265

Chemical Property of 3,5-dichloro-2-iodo-benzoic Acid

Chemical Property:

• Vapor Pressure: 6.18E-06mmHg at 25°C
• Melting Point: 171-172 °C(Solv: acetic acid (64-19-7); water (7732-18-5))
• Boiling Point: 364°C at 760 mmHg
• PKA: 2.12±0.10(Predicted)
• Flash Point: 173.9°C
• PSA: 37.30000
• Density: 2.142±0.06 g/cm3(Predicted)
• LogP: 3.29620
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 315.85548
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

98%Min ^*data from raw suppliers

3,5-Dichloro-2-iodo-benzoicacid ^*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)I)Cl)Cl

Technology Process of 3,5-dichloro-2-iodo-benzoic Acid

There total 4 articles about 3,5-dichloro-2-iodo-benzoic 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: 88.0%

3,5-dichloroantranilic acid (2789-92-6) → 2-iodoyl-3,5-dichlorobenzoic acid (15396-37-9)

Guidance literature:

Reference yield:

5-chloroanthranilic acid (635-21-2) → 2-iodoyl-3,5-dichlorobenzoic acid (15396-37-9)

Guidance literature:

5-chloroanthranilic acid; With sulfuric acid; sodium nitrite; at 0 - 20 ℃; for 17h;

With potassium iodide; In water; Further stages.;

DOI:10.1021/ol016809d

Reference yield:

3,5-dichlorobenzoic acid (51-36-5) → 2-iodoyl-3,5-dichlorobenzoic acid (15396-37-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sulfuric acid; nitric acid / 0 - 20 °C

2.1: hydrogen / rhenium; nickel / methanol / 20 °C

3.1: hydrogenchloride; sodium hydroxide; sodium nitrite / water / 0 - 5 °C

3.2: 0.5 h / 50 °C

With hydrogenchloride; sulfuric acid; hydrogen; nitric acid; sodium hydroxide; sodium nitrite; rhenium; nickel; In methanol; water;

upstream raw materials:

3,5-dichloroantranilic acid

5-chloroanthranilic acid

3,5-dichlorobenzoic acid

Downstream raw materials:

3,5-Dichloro-2-(2,3-dichlorophenylthio)benzoic Acid

3,5-dichloro-2-(phenylthio)benzoic acid

2-(3,5-dichloro-2-iodobenzoyloxy)ethanol

3,5-Dichloro-2-iodo-benzoic acid 2-(2-iodo-benzoyloxy)-ethyl ester

Refernces

• 1、 -. "INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1". Page/Page column 54. . Retrieved 2009/10/21.
• 2、 Poirier, Marc,Chen, Frank,Bernard, Charles,Wong, Yee-Shing,Wu, George G.. "An anion-induced regio- and chemoselective acylation and its application to the synthesis of an anticancer agent". . p. 3795 - 3798. Retrieved 2007/10/03.