3-Bromo-5-iodo-4-methoxy-1-methylpyridin-2(1h)-one

Base Information

• Chemical Name: 3-Bromo-5-iodo-4-methoxy-1-methylpyridin-2(1h)-one
• CAS No.: 920490-71-7
• Molecular Formula: C7H7BrINO2
• Molecular Weight: 343.947
• DSSTox Substance ID: DTXSID30580401
• Nikkaji Number: J2.423.784B
• Wikidata: Q82471229
• Mol file: 920490-71-7.mol

Synonyms:3-bromo-5-iodo-4-methoxy-1-methylpyridin-2(1h)-one;920490-71-7;3-BROMO-5-IODO-4-METHOXY-1-METHYLPYRIDIN-2-ONE;SCHEMBL5287836;DTXSID30580401;MFCD22380410;AKOS027339270;AS-40958;CS-0435002

Chemical Property of 3-Bromo-5-iodo-4-methoxy-1-methylpyridin-2(1h)-one

Chemical Property:

• PSA: 31.23000
• LogP: 1.76100
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 342.87049
• Heavy Atom Count: 12
• Complexity: 285

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-5-iodo-4-methoxy-1-methylpyridin-2(1H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C=C(C(=C(C1=O)Br)OC)I

Technology Process of 3-Bromo-5-iodo-4-methoxy-1-methylpyridin-2(1h)-one

There total 2 articles about 3-Bromo-5-iodo-4-methoxy-1-methylpyridin-2(1h)-one 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: 95.0%

3-bromo-4-methoxy-1-methylpyridin-2(1H)-one (920490-72-8) → 3-bromo-5-iodo-4-methoxy-1-methylpyridin-2(1H)-one (920490-71-7)

Guidance literature:

With N-iodo-succinimide; trifluoroacetic acid; In acetonitrile; at 20 ℃; for 15h;

DOI:10.1021/ol062721u

Reference yield:

4-methoxy-1-methyl-2-pyridone (41759-19-7) → 3-bromo-5-iodo-4-methoxy-1-methylpyridin-2(1H)-one (920490-71-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / acetic acid; Br₂ / CH₂Cl₂ / 15 h / 20 °C

2: 95 percent / N-iodosuccinimide; trifluoroacetic acid / acetonitrile / 15 h / 20 °C

With N-iodo-succinimide; bromine; acetic acid; trifluoroacetic acid; In dichloromethane; acetonitrile;

DOI:10.1021/ol062721u

Reference yield: 94.0%

3-bromo-5-iodo-4-methoxy-1-methylpyridin-2(1H)-one (920490-71-7) + (meta-(trifluoromethyl)phenyl)boronic acid (1423-26-3) → 3-bromo-4-methoxy-1-methyl-5-(3-trifluoromethylphenyl)pyridin-2(1H)-one

Guidance literature:

With trisodium tris(3-sulfophenyl)phosphine; diisopropylamine; palladium diacetate; In water; acetonitrile; at 80 ℃; for 16h;

DOI:10.1021/ol062721u

upstream raw materials:

3-bromo-4-methoxy-1-methylpyridin-2(1H)-one

4-methoxy-1-methyl-2-pyridone

Downstream raw materials:

3-bromo-4-methoxy-5-(4-methoxyphenyl)-1-methylpyridin-2(1H)-one

4-methoxy-5-(4-methoxyphenyl)-1-methyl-3-(trimethylsilylethynyl)pyridin-2(1H)-one

4-methoxy-5-(4-methoxyphenyl)-1-methylpyridin-2(1H)-one

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