2-Amino-5-iodo-3-methylbenzoic Acid

Base Information

• Chemical Name: 2-Amino-5-iodo-3-methylbenzoic Acid
• CAS No.: 108857-24-5
• Molecular Formula: C8H8 I N O2
• Molecular Weight: 277.062
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID80459552
• Nikkaji Number: J3.041.630I
• Wikidata: Q82283346
• Mol file: 108857-24-5.mol

Synonyms:2-Amino-5-iodo-3-methylbenzoic Acid;108857-24-5;2-Amino-5-iodo-3-methylbenzenecarboxylic acid;2-amino-5-iodo-3-methyl-benzoic Acid;SCHEMBL857080;3-Methyl-5-iodoanthanilic acid;DTXSID80459552;WFKOJKHXWWNXPK-UHFFFAOYSA-N;MFCD09029816;2-amino-3-methyl-5-iodobenzoic acid;AKOS005073042;AT30290;HD-0722;SB81373;AC-17770;CS-0149159;FT-0681300;J-507951

Chemical Property of 2-Amino-5-iodo-3-methylbenzoic Acid

Chemical Property:

• Melting Point: 235-240°
• PSA: 63.32000
• LogP: 2.46120
• Storage Temp.: 2-8°C
• Solubility.: DMF
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 276.95998
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-5-iodo-3-methylbenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1N)C(=O)O)I
• Uses: 2-Amino-5-iodo-3-methylbenzoic acid is an intermediate in the synthesis of highly potent and selective activator of insect ryanodine receptors.

Technology Process of 2-Amino-5-iodo-3-methylbenzoic Acid

There total 2 articles about 2-Amino-5-iodo-3-methylbenzoic 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: 97.7%

3-methylantranilic acid (4389-45-1) → 2-amino-5-iodo-3-methylbenzoic acid (108857-24-5)

Guidance literature:

With dipotassium peroxodisulfate; iodine; In tetrachloromethane; at 77 ℃; for 6h;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + 3-methylantranilic acid (4389-45-1) + Iodine monochloride (7790-99-0) → 2-amino-5-iodo-3-methylbenzoic acid (108857-24-5)

Guidance literature:

Reference yield: 99.0%

2-amino-5-iodo-3-methylbenzoic acid (108857-24-5) + copper(l) cyanide → 2-amino-5-cyano-3-methyl-benzoic acid (871239-18-8)

Guidance literature:

In N,N-dimethyl-formamide; at 140 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.tetlet.2011.11.014

upstream raw materials:

3-methylantranilic acid

hydrogenchloride

Iodine monochloride

Downstream raw materials:

2-amino-5-iodo-3-methyl-benzoic acid ethyl ester

6-iodo-8-methyl-1H-benzo[d][1,3]oxazine-2,4-dione

2-[1-(3-chloropyridine-2-yl)-3-bromo-1H-pyrazole-5-yl]-6-iodo-8-methyl-4H-3,1-benzoxazine-4-one

2-amino-5-cyano-3-methyl-benzoic acid