4-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine

Base Information

• Chemical Name: 4-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine
• CAS No.: 897016-97-6
• Molecular Formula: C17H25BFNO3
• Molecular Weight: 321.2
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80682383
• Wikidata: Q82606751
• Mol file: 897016-97-6.mol

Synonyms:897016-97-6;4-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine;2-Fluoro-4-(morpholinomethyl)phenylboronic acid pinacol ester;4-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;4-{[3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine;SCHEMBL538831;DTXSID80682383;DWJRSQOUYHDWKV-UHFFFAOYSA-N;MFCD18434461;AKOS015999560;BS-23945;CS-0153878;N10218;A861089;4-[3-Fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzyl]morpholine

Chemical Property of 4-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine

Chemical Property:

• Boiling Point: 398.3±42.0 °C(Predicted)
• PKA: 6.15±0.10(Predicted)
• PSA: 30.93000
• Density: 1.12±0.1 g/cm3(Predicted)
• LogP: 1.89500
• Storage Temp.: Refrigerated.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 321.1911520
• Heavy Atom Count: 23
• Complexity: 399

Purity/Quality:

97% ^*data from raw suppliers

2-Fluoro-4-(morpholinomethyl)phenylboronicacidpinacolester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)CN3CCOCC3)F

Technology Process of 4-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine

There total 2 articles about 4-(3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine 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: 65.0%

4-(4-bromo-3-fluorobenzyl)morpholine (897016-96-5) + bis(pinacol)diborane (73183-34-3) → 4-(3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine (897016-97-6)

Guidance literature:

With potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In N,N-dimethyl-formamide; at 80 ℃; for 8h;

Reference yield:

4-bromo-3-fluorobenzaldehyde (133059-43-5) → 4-(3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine (897016-97-6)

Guidance literature:

Multi-step reaction with 2 steps

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

1.2: 12 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;

Reference yield: 74.0%

2-(5-bromopyridin-2-yl)-N-(3-fluorobenzyl)acetamide + 4-(3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine (897016-97-6) → KX2-393

Guidance literature:

With potassium carbonate; FibreCat 1007; In ethanol; water; at 150 ℃; for 0.166667h; Microwave irradiation;

upstream raw materials:

4-(4-bromo-3-fluorobenzyl)morpholine

bis(pinacol)diborane

4-bromo-3-fluorobenzaldehyde

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