2-Amino-3-iodobenzoic acid

Base Information

• Chemical Name: 2-Amino-3-iodobenzoic acid
• CAS No.: 20776-55-0
• Molecular Formula: C7H6INO2
• Molecular Weight: 263.035
• Hs Code.: 2922499990
• European Community (EC) Number: 841-285-9
• NSC Number: 135149
• DSSTox Substance ID: DTXSID60300159
• Nikkaji Number: J36.230A
• Wikidata: Q72438365
• Mol file: 20776-55-0.mol

Synonyms:2-amino-3-iodobenzoic acid;20776-55-0;2-Amino-3-Iodo-Benzoic Acid;Benzoic acid, 2-amino-3-iodo-;MFCD06808542;2-Amino-3-iodobenzoicAcid;NSC135149;SCHEMBL505423;DTXSID60300159;AMY12094;AKOS008119000;CS-O-30867;NSC 135149;NSC-135149;AC-28865;BL008555;DS-15593;SY027083;CS-0030571;FT-0659722;EN300-52875;A814876;Z362758740

Chemical Property of 2-Amino-3-iodobenzoic acid

Chemical Property:

• Vapor Pressure: 5.13E-06mmHg at 25°C
• Melting Point: 137 °C
• Refractive Index: 1.728
• Boiling Point: 366.5 °C at 760 mmHg
• PKA: 4.59±0.10(Predicted)
• Flash Point: 175.5 °C
• PSA: 63.32000
• Density: 2.082g/cm³
• 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:

97% ^*data from raw suppliers

2-Amino-3-iodobenzoicAcid ^*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)N)C(=O)O

Technology Process of 2-Amino-3-iodobenzoic acid

There total 8 articles about 2-Amino-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: 89.0%

7-iodoisatin (20780-78-3) → 2-amino-3-iodo-benzoic acid (20776-55-0)

Guidance literature:

7-iodoisatin; With dihydrogen peroxide; sodium hydroxide; In water; at 20 ℃;

With hydrogenchloride; In water; pH=2;

Reference yield:

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2-amino-3-iodo-benzoic acid (20776-55-0) + 2-amino-5-iodobenzoic acid (5326-47-6)

Guidance literature:

With dihydrogen peroxide; iodine; In water; acetic acid; at 20 - 50 ℃; for 1 - 5h; Product distribution / selectivity;

Reference yield:

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2-amino-3-iodo-benzoic acid (20776-55-0)

Guidance literature:

With D-glucose; Escherichia coli flavin reductase; Bacillus megaterium glucose dehydrogenase; Lechevalieria aerocolonigenes tryptophan-7-halogenase; flavin adenine dinucleotide; NADH; In aq. phosphate buffer; isopropyl alcohol; pH=7.4; Enzymatic reaction;

DOI:10.1002/chem.201403953

upstream raw materials:

7-iodoisatin

meta-aminobenzoic acid

3-Iodobenzoic acid

2'-hydroxyimino-2-iodoacetanilide

Downstream raw materials:

2-(o-methyl phenoxymethyl)-8-iodo anthranil

2-(3,5-Dimethylphenoxymethyl)-8-iodoanthranil

8-Iodo-2-phenyl-benzo[d][1,3]oxazin-4-one

8-Iodo-2-phenoxymethyl-benzo[d][1,3]oxazin-4-one