Methyl 3-aMino-5-broMo-2-fluorobenzoate

Base Information

• Chemical Name: Methyl 3-aMino-5-broMo-2-fluorobenzoate
• CAS No.: 1339049-19-2
• Molecular Formula: C₈H₇BrFNO₂
• Molecular Weight: 248.051
• Mol file: 1339049-19-2.mol

Synonyms:Methyl 3-aMino-5-broMo-2-fluorobenzoate

Chemical Property of Methyl 3-aMino-5-broMo-2-fluorobenzoate

Chemical Property:

• Boiling Point: 327.8±42.0 °C(Predicted)
• PKA: 0.99±0.10(Predicted)
• PSA: 52.32000
• Density: 1.653±0.06 g/cm3(Predicted)
• LogP: 2.53820
• Storage Temp.: 2-8°C

Purity/Quality:

95% ^*data from raw suppliers

Methyl3-amino-5-bromo-2-fluorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Methyl 3-aMino-5-broMo-2-fluorobenzoate

There total 1 articles about Methyl 3-aMino-5-broMo-2-fluorobenzoate 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: 70.1%

methyl 5-bromo-2-fluoro-3-nitrobenzoate (1154278-17-7) → methyl 3-amino-5-bromo-2-fluorobenzoate (1339049-19-2)

Guidance literature:

With iron; ammonium chloride; In ethanol; water; at 90 ℃; for 1h;

Reference yield:

methyl 3-amino-5-bromo-2-fluorobenzoate (1339049-19-2) → 5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4-fluoro-N-((1-methyl-3-oxo-2,3,5,6,7,8-hexahydroisoquinolin-4-yl)methyl)-4’-(1-morpholinoethyl)-[1,1‘-biphenyl]-3-carboxamide

Guidance literature:

Multi-step reaction with 5 steps

1.1: acetic acid / 1,2-dichloro-ethane / 0.08 h / Inert atmosphere

1.2: 64 h

2.1: acetic acid / 1,2-dichloro-ethane / 0.33 h / 20 °C

2.2: 2 h / 0 - 20 °C

3.1: sodium hydroxide / ethanol; water / 1 h / 60 °C

4.1: HATU; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 16 h

5.1: sodium carbonate; triphenylphosphine / water; 1,4-dioxane / 16 h / 200 °C / Inert atmosphere

With sodium carbonate; acetic acid; N-ethyl-N,N-diisopropylamine; triphenylphosphine; HATU; sodium hydroxide; In 1,4-dioxane; ethanol; water; 1,2-dichloro-ethane; N,N-dimethyl-formamide;

Reference yield:

methyl 3-amino-5-bromo-2-fluorobenzoate (1339049-19-2) → 3’-((dimethylamino)methyl)-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4-fluoro-N-((1-methyl-3-oxo-2,3,5,6,7,8-hexahydroisoquinolin-4-yl)methyl)-[1,1’-biphenyl]-3-carboxamide

Guidance literature:

Multi-step reaction with 5 steps

1.1: acetic acid / 1,2-dichloro-ethane / 0.08 h / Inert atmosphere

1.2: 64 h

2.1: acetic acid / 1,2-dichloro-ethane / 0.33 h / 20 °C

2.2: 2 h / 0 - 20 °C

3.1: sodium hydroxide / ethanol; water / 1 h / 60 °C

4.1: HATU; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 16 h

5.1: sodium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / 1,4-dioxane / 16 h / 100 °C / Inert atmosphere

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium carbonate; acetic acid; N-ethyl-N,N-diisopropylamine; HATU; sodium hydroxide; In 1,4-dioxane; ethanol; water; 1,2-dichloro-ethane; N,N-dimethyl-formamide;

upstream raw materials:

methyl 5-bromo-2-fluoro-3-nitrobenzoate

Refernces