Methyl 4-amino-5-iodo-2-methoxybenzoate

Base Information

• Chemical Name: Methyl 4-amino-5-iodo-2-methoxybenzoate
• CAS No.: 137832-56-5
• Molecular Formula: C9H10INO3
• Molecular Weight: 307.08500
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID40577029
• Wikidata: Q82466947
• Mol file: 137832-56-5.mol

Synonyms:methyl 4-amino-5-iodo-2-methoxybenzoate;137832-56-5;Methyl 4-amino-5-iodo-2-methoxybenzenecarboxylate;MFCD11112895;Benzoic acid, 4-amino-5-iodo-2-methoxy-, methyl ester;Methyl4-amino-5-iodo-2-methoxybenzoate;4-Amino-5-iodo-2-methoxy-benzoic acid methyl ester;SCHEMBL2596444;DTXSID40577029;BHSONSDBOHRILN-UHFFFAOYSA-N;AMY17693;AKOS005072138;BE-0768;SY102637;CS-0036457;W10870;A807310;J-522302

Chemical Property of Methyl 4-amino-5-iodo-2-methoxybenzoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 413.995oC at 760 mmHg
• Flash Point: 204.177oC
• PSA: 61.55000
• Density: 1.748g/cm3
• LogP: 2.24980
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 306.97054
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

98%min ^*data from raw suppliers

Methyl4-Amino-5-iodo-2-methoxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1C(=O)OC)I)N

Technology Process of Methyl 4-amino-5-iodo-2-methoxybenzoate

There total 1 articles about Methyl 4-amino-5-iodo-2-methoxybenzoate 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:

→ methyl 4-amino-5-iodo-2-methoxybenzoate (137832-56-5)

Guidance literature:

Reference yield: 89.0%

methyl 4-amino-5-iodo-2-methoxybenzoate (137832-56-5) + potassium isopropenyltrifluoroborane → methyl 4-amino-2-methoxy-5-(prop-1-en-2-yl)benzoate

Guidance literature:

methyl 4-amino-5-iodo-2-methoxybenzoate; potassium isopropenyltrifluoroborane; With caesium carbonate; In 1,4-dioxane; water; for 0.166667h; Inert atmosphere; Sealed tube;

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; water; at 120 ℃; for 12h; Inert atmosphere; Sealed tube;

DOI:10.1002/chem.202102574

Reference yield: 59.0%

methyl 4-amino-5-iodo-2-methoxybenzoate (137832-56-5) → methyl 4-amino-2-hydroxy-5-iodobenzoate

Guidance literature:

With boron tribromide; In dichloromethane; at 0 ℃; for 3h;

DOI:10.1016/j.ejmech.2018.04.035

Downstream raw materials:

2-amino-5-(hydroxymethyl)-4-methoxybenzonitrile

2,6-dimethoxy-3-methylcarbazole

glycozolidal

methyl 5-iodo-2-hydroxy-4-nitrobenzoate

Refernces