Methyl 2-amino-5-bromo-3-iodobenzoate

Base Information

• Chemical Name: Methyl 2-amino-5-bromo-3-iodobenzoate
• CAS No.: 289039-83-4
• Molecular Formula: C8H7 Br I N O2
• Molecular Weight: 355.958
• European Community (EC) Number: 608-286-4
• DSSTox Substance ID: DTXSID20700752
• Wikidata: Q82632212
• Mol file: 289039-83-4.mol

Synonyms:METHYL 2-AMINO-5-BROMO-3-IODOBENZOATE;289039-83-4;Benzoic acid, 2-amino-5-bromo-3-iodo-, methyl ester;MFCD00673015;Methyl2-amino-5-bromo-3-iodobenzoate;SCHEMBL758705;DTXSID20700752;NYKVKANRUGAWAL-UHFFFAOYSA-N;DS-4030;methyl 2-amino-5-bromo-3-iodo-benzoate;SY113069;CS-0105628;EN300-152682;A904728

Chemical Property of Methyl 2-amino-5-bromo-3-iodobenzoate

Chemical Property:

• Vapor Pressure: 3.6E-05mmHg at 25°C
• Refractive Index: 1.672
• Boiling Point: 353.4°C at 760 mmHg
• Flash Point: 167.5°C
• PSA: 52.32000
• Density: 2.12g/cm³
• LogP: 3.00370
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 354.87049
• Heavy Atom Count: 13
• Complexity: 203

Purity/Quality:

97% ^*data from raw suppliers

Methyl 2-amino-5-bromo-3-iodobenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-amino-5-bromo-3-iodobenzoate

There total 1 articles about Methyl 2-amino-5-bromo-3-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: 82.0%

5-bromo-2-aminobenzoic acid methyl ester (52727-57-8) → methyl 2-amino-5-bromo-3-iodobenzoate (289039-83-4)

Guidance literature:

With N-iodo-succinimide; acetic acid; at 20 ℃; for 17h;

Reference yield: 100.0%

methyl 2-amino-5-bromo-3-iodobenzoate (289039-83-4) + trimethylsilylacetylene (1066-54-2) → methyl 2-amino-5-bromo-3-((trimethylsilyl)ethynyl)benzoate (875305-09-2)

Guidance literature:

With copper(l) iodide; triethylamine; bis-triphenylphosphine-palladium(II) chloride; at 20 ℃; for 1.5h;

Reference yield: 91.0%

methyl 2-amino-5-bromo-3-iodobenzoate (289039-83-4) + pent-1-yn-5-ol (5390-04-5) → methyl 2-amino-5-bromo-3-(5-hydroxypent-1-yn-1-yl)benzoate

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;

upstream raw materials:

5-bromo-2-aminobenzoic acid methyl ester

Downstream raw materials:

methyl 2-amino-5-bromo-3-((trimethylsilyl)ethynyl)benzoate

5-bromo-1H-indole-7-carboxylic acid

methyl 5-bromo-1H-indole-7-carboxylate

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