4-(4-Bromo-2-fluorophenyl)morpholine

Base Information

• Chemical Name: 4-(4-Bromo-2-fluorophenyl)morpholine
• CAS No.: 513068-89-8
• Molecular Formula: C10H11BrFNO
• Molecular Weight: 260.106
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50464118
• Nikkaji Number: J1.892.668G
• Wikidata: Q82289319
• Mol file: 513068-89-8.mol

Synonyms:4-(4-Bromo-2-fluorophenyl)morpholine;513068-89-8;MFCD11846942;4-(4-Bromo-2-fluoro-phenyl)-morpholine;Morpholine, 4-(4-bromo-2-fluorophenyl)-;SCHEMBL3122343;DTXSID50464118;AKOS016006894;AM87022;AC-27735;AS-32447;SY011575;CS-0157148;FT-0751949;A848099

Chemical Property of 4-(4-Bromo-2-fluorophenyl)morpholine

Chemical Property:

• Boiling Point: 332.5±42.0 °C(Predicted)
• PKA: 4.14±0.40(Predicted)
• PSA: 12.47000
• Density: 1.502±0.06 g/cm3(Predicted)
• LogP: 2.48980
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 259.00080
• Heavy Atom Count: 14
• Complexity: 187

Purity/Quality:

98% ^*data from raw suppliers

4-(4-Bromo-2-fluorophenyl)morpholine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=C(C=C(C=C2)Br)F
• Uses: 4-(4-Bromo-2-fluorophenyl)morpholine used in the synthesis of oxazolidinone antibacterials.

Technology Process of 4-(4-Bromo-2-fluorophenyl)morpholine

There total 7 articles about 4-(4-Bromo-2-fluorophenyl)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: 88.0%

morpholine (110-91-8,99108-56-2) + 1-bromo-3-fluoro-4-iodobenzene (105931-73-5) → 4-(4-bromo-2-fluorophenyl)morpholine (513068-89-8)

Guidance literature:

With 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; sodium t-butanolate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In toluene; at 80 ℃; for 1h;

DOI:10.1016/j.tet.2008.01.070

Reference yield: 80.4%

4-bromo-2-fluoroaniline (367-24-8) + 3-oxa-1,5-dichloropentane (111-44-4) → 4-(4-bromo-2-fluorophenyl)morpholine (513068-89-8)

Guidance literature:

With triethylamine; at 150 ℃; for 24h;

Reference yield: 80.0%

3-fluoro-4-(morpholinyl)aniline (93246-53-8) → 4-(4-bromo-2-fluorophenyl)morpholine (513068-89-8)

Guidance literature:

3-fluoro-4-(morpholinyl)aniline; With hydrogen bromide; sodium nitrite;

With hydrogen bromide; copper(I) bromide; for 2.5h; Reflux;

DOI:10.1016/j.bioorg.2020.104359

upstream raw materials:

3-fluoro-4-(morpholinyl)aniline

4-bromo-2-fluoroaniline

3-oxa-1,5-dichloropentane

morpholine

Downstream raw materials:

(R)-5-azidomethyl-3-(3-fluoro-4-(morpholin-4-yl)phenyl)oxazolidin-2-one

4-(2-fluoro-4-vinylphenyl)morpholine

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