Methyl 2-amino-6-iodobenzoate

Base Information

• Chemical Name: Methyl 2-amino-6-iodobenzoate
• CAS No.: 147494-20-0
• Molecular Formula: C8H8INO2
• Molecular Weight: 277.05909
• European Community (EC) Number: 836-448-6
• Mol file: 147494-20-0.mol

Synonyms:METHYL 2-AMINO-6-IODOBENZOATE;147494-20-0;Benzoic acid, 2-amino-6-iodo-, methyl ester;methyl 6-iodoanthranilate;SCHEMBL1211014;WLALCEBDEFFUEC-UHFFFAOYSA-N;METHYL2-AMINO-6-IODOBENZOATE;SB81686;benzoic acid,2-amino-6-iodo-,methyl ester;EN300-2008403

Chemical Property of Methyl 2-amino-6-iodobenzoate

Chemical Property:

• PSA: 52.32000
• LogP: 2.24120
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 276.95998
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

95% ^*data from raw suppliers

Methyl2-amino-6-iodobenzoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CC=C1I)N

Technology Process of Methyl 2-amino-6-iodobenzoate

There total 3 articles about Methyl 2-amino-6-iodobenzoate 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: 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: 44.0%

2-amino-6-chlorobenzoic acid (20776-52-7) → methyl N-methyl-6-iodoanthranilate + methyl 2-amino-6-iodobenzoate (147494-20-0)

Guidance literature:

2-amino-6-chlorobenzoic acid; With sodium hydride; In N,N-dimethyl-formamide; for 21h; Further stages.; Heating;

DOI:10.1016/j.bmc.2008.07.015

Reference yield:

5-iodo-2H-3,1-benzoxazine-2,4(1H)-dione (32615-82-0) → methyl 2-amino-6-iodobenzoate (147494-20-0)

Guidance literature:

With sodium hydroxide; In methanol; ethyl acetate;

upstream raw materials:

2-iodo-6-nitrobenzoic acid methylester

5-iodo-2H-3,1-benzoxazine-2,4(1H)-dione

2-amino-6-chlorobenzoic acid

Downstream raw materials:

2-(3'-iodo-2'-(methoxycarbonyl)phenylamino)benzoic acid

Refernces

• 1、 -. "Pyridazinedione compounds useful in treating neurological disorders". . . Retrieved 2008/06/13.