2-Amino-6-iodobenzoic acid

Base Information

• Chemical Name: 2-Amino-6-iodobenzoic acid
• CAS No.: 20776-52-7
• Molecular Formula: C7H6INO2
• Molecular Weight: 263.03300
• Hs Code.: 2922499990
• European Community (EC) Number: 813-612-5
• DSSTox Substance ID: DTXSID00509220
• Nikkaji Number: J83.019D
• Wikidata: Q82366637
• Mol file: 20776-52-7.mol

Synonyms:2-amino-6-iodobenzoic acid;20776-52-7;Benzoic acid, 2-amino-6-iodo-;MFCD07774160;2-amino-6-iodobenzoicacid;2-Amino-6-iodo-benzoic acid;SCHEMBL3405052;DTXSID00509220;AKOS015919774;FD13014;SY027424;CS-0041326;FT-0706367;EN300-125492;A879430;Z1269190340

Chemical Property of 2-Amino-6-iodobenzoic acid

Chemical Property:

• Melting Point: 162℃
• PSA: 63.32000
• LogP: 2.15280
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 262.94433
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

98%min ^*data from raw suppliers

2-Amino-6-iodobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-6-iodobenzoic acid

There total 6 articles about 2-Amino-6-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: 90.0%

4-Iodo-1H-benzo[c]isoxazol-3-one → 2-amino-6-chlorobenzoic acid (20776-52-7)

Guidance literature:

With nickel boride; In methanol; at 60 ℃;

DOI:10.1016/S0040-4039(00)93385-9

Reference yield: 85.0%

2-iodo-6-nitrobenzoic acid methylester (5471-78-3) → 2-amino-6-chlorobenzoic acid (20776-52-7) + methyl 2-amino-6-iodobenzoate (147494-20-0)

Guidance literature:

With hydrogenchloride; nickel boride; In methanol; at 60 ℃; for 0.5h;

DOI:10.1016/S0040-4039(00)93385-9

Reference yield: 59.0%

2-iodo-6-nitrobenzoic acid (89641-04-3) → 2-amino-6-chlorobenzoic acid (20776-52-7)

Guidance literature:

With hydrogenchloride; tin(ll) chloride; In water; acetic acid; at 50 ℃; for 1h;

DOI:10.1135/cccc19970913

upstream raw materials:

4-iodo-1H-indole-2,3-dione

2-iodo-6-nitrobenzoic acid methylester

2-iodo-6-nitrobenzoic acid

anthranilic acid

Downstream raw materials:

methyl 2-amino-6-iodobenzoate

Refernces

• 1、 Hosford, Joseph,Shepherd, Sarah A.,Micklefield, Jason,Wong, Lu Shin. "A High-Throughput Assay for Arylamine Halogenation Based on a Peroxidase-Mediated Quinone-Amine Coupling with Applications in the Screening of Enzymatic Halogenations". supporting information. p. 16759 - 16763. Retrieved 2016/02/12.