3-Fluoro-4-(N-morpholinomethyl)phenylboronic acid, pinacol ester

Base Information

• Chemical Name: 3-Fluoro-4-(N-morpholinomethyl)phenylboronic acid, pinacol ester
• CAS No.: 1073354-74-1
• Molecular Formula: C17H27BFNO4
• Molecular Weight: 321.2
• Hs Code.: 2934999090
• Mol file: 1073354-74-1.mol

Synonyms:3-FLUORO-4-(N-MORPHOLINOMETHYL)PHENYLBORONIC ACID, PINACOL ESTER;3-Fluoro-4-(N-Morpholin-4-ylMethyl)phenylboronic acid pinacol ester;4-(2-Fluoro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzyl)Morpholine

Chemical Property of 3-Fluoro-4-(N-morpholinomethyl)phenylboronic acid, pinacol ester

Chemical Property:

• Boiling Point: 401.8±45.0 °C(Predicted)
• PKA: 5.93±0.20(Predicted)
• PSA: 30.93000
• Density: 1.12±0.1 g/cm3(Predicted)
• LogP: 1.89500
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

3-Fluoro-4-(N-morpholinomethyl)phenylboronic acid, pinacol ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Fluoro-4-(N-morpholinomethyl)phenylboronic acid, pinacol ester

Technology Process of 3-Fluoro-4-(N-morpholinomethyl)phenylboronic acid, pinacol ester

There total 5 articles about 3-Fluoro-4-(N-morpholinomethyl)phenylboronic acid, pinacol ester 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: 96.0%

4-[(4-bromo-2-fluorophenyl)methyl]morpholine (338454-98-1) + bis(pinacol)diborane (73183-34-3) → 4-{[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine (1073354-74-1)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In N,N-dimethyl-formamide; at 85 ℃; for 13h; Inert atmosphere;

Reference yield: 16.0%

→ 4-{[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine (1073354-74-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydrogencarbonate; In 1,4-dioxane; water; at 130 ℃; for 0.833333h; Inert atmosphere; Microwave irradiation;

Reference yield:

4-bromo-2-fluorobenzaldehyde (57848-46-1) → 4-{[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine (1073354-74-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: chloroform / 1 h / 58 - 60 °C / Sealed tube

1.2: 16 h / 58 - 60 °C / Sealed tube

2.1: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate / 1,4-dioxane / 0.5 h / 120 °C / Microwave irradiation

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; chloroform;

upstream raw materials:

4-[(4-bromo-2-fluorophenyl)methyl]morpholine

bis(pinacol)diborane

4-bromo-2-fluorobenzaldehyde

4-bromo-2-fluorobenzyl bromide

Downstream raw materials:

5-(3-fluoro-4-(morpholinomethyl)phenyl)-3-(1-isopropyl-1H-1,2,3-triazol-4-yl)pyridin-2-ylamine

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