1-(4-Bromophenyl)-2-morpholinoethanone

Base Information

• Chemical Name: 1-(4-Bromophenyl)-2-morpholinoethanone
• CAS No.: 20099-96-1
• Molecular Formula: C12H14BrNO2
• Molecular Weight: 284.153
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70328506
• Wikidata: Q82091072
• ChEMBL ID: CHEMBL1617172
• Mol file: 20099-96-1.mol

Synonyms:1-(4-Bromophenyl)-2-morpholinoethanone;20099-96-1;1-(4-bromophenyl)-2-morpholin-4-ylethanone;1-(4-bromophenyl)-2-(morpholin-4-yl)ethanone;CBMicro_021353;SCHEMBL1927765;CHEMBL1617172;DTXSID70328506;CCG-9639;MFCD00628464;STK205211;AKOS003943574;NCGC00184372-01;BS-21949;BIM-0021300.P001;FT-0768520;1-(4-Bromo-phenyl)-2-morpholin-4-yl-ethanone;1-(4-Bromophenyl)-2-(4-morpholinyl)ethanone;1-(4-Bromophenyl)-2-(4-morpholinyl)ethanone #;1-(4-bromophenyl)-2-(morpholin-4-yl)ethan-1-one

Chemical Property of 1-(4-Bromophenyl)-2-morpholinoethanone

Chemical Property:

• Melting Point: 88.5-89 °C
• Boiling Point: 392.8±37.0 °C(Predicted)
• PKA: 4.43±0.10(Predicted)
• PSA: 29.54000
• Density: 1.408±0.06 g/cm3(Predicted)
• LogP: 1.90190
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 283.02079
• Heavy Atom Count: 16
• Complexity: 233

Purity/Quality:

≥95% ^*data from raw suppliers

1-(4-Bromophenyl)-2-morpholinoethanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1CC(=O)C2=CC=C(C=C2)Br

Technology Process of 1-(4-Bromophenyl)-2-morpholinoethanone

There total 3 articles about 1-(4-Bromophenyl)-2-morpholinoethanone 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: 92.0%

morpholine (110-91-8,99108-56-2) + para-bromoacetophenone (99-90-1) → 1-(4-bromophenyl)-2-(4-morpholinyl)ethanone (20099-96-1)

Guidance literature:

With iodine; In isopropyl alcohol;

DOI:10.1021/jo301117b

Reference yield: 78.0%

morpholine (110-91-8,99108-56-2) + 4-bromo-2-hydroxyacetophenone (3343-45-1) → 1-(4-bromophenyl)-2-(4-morpholinyl)ethanone (20099-96-1)

Guidance literature:

With toluene-4-sulfonic acid; In neat (no solvent); at 50 ℃; for 16h; regioselective reaction; Inert atmosphere;

DOI:10.1055/s-0037-1611731

Reference yield:

→ 1-(4-bromophenyl)-2-(4-morpholinyl)ethanone (20099-96-1)

Guidance literature:

upstream raw materials:

morpholine

para-bromoacetophenone

4-bromo-2-hydroxyacetophenone

Downstream raw materials:

1-(4-bromophenyl)-2-(morpholin-4-yl)ethane-1,2-dione

Refernces

• 1、 Wei, Wei,Shao, Ying,Hu, Huayou,Zhang, Feng,Zhang, Chao,Xu, Yuan,Wan, Xiaobing. "Coupling of methyl ketones and primary or secondary amines leading to α-ketoamides". . p. 7157 - 7165. Retrieved 2012/11/07.