(4-Bromo-3-methylphenyl)(morpholin-2-yl)methanone

Base Information

• Chemical Name: (4-Bromo-3-methylphenyl)(morpholin-2-yl)methanone
• CAS No.: 149105-06-6
• Molecular Formula: C12H14BrNO2
• Molecular Weight: 284.153
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50699367
• Mol file: 149105-06-6.mol

Synonyms:DTXSID50699367;AKOS015835215;(4-Bromo-3-methylphenyl)(morpholin-2-yl)methanone

Chemical Property of (4-Bromo-3-methylphenyl)(morpholin-2-yl)methanone

Chemical Property:

• Boiling Point: 424.5±45.0 °C(Predicted)
• PKA: -1.81±0.20(Predicted)
• PSA: 29.54000
• Density: 1.434±0.06 g/cm3(Predicted)
• LogP: 2.16780
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 283.02079
• Heavy Atom Count: 16
• Complexity: 259

Purity/Quality:

97% ^*data from raw suppliers

((4-Bromo-3-methylphenyl)carbonyl)morpholine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(=O)C2CNCCO2)Br

Technology Process of (4-Bromo-3-methylphenyl)(morpholin-2-yl)methanone

There total 2 articles about (4-Bromo-3-methylphenyl)(morpholin-2-yl)methanone 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: 74.0%

morpholine (110-91-8,99108-56-2) + 4-bromo-3-methylbenzoyl chloride (21900-25-4) → (4-bromo-3-methylphenyl)(morpholino)methanone (149105-06-6)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1002/anie.201502626

Reference yield:

morpholine (110-91-8,99108-56-2) + 4-bromo-3-methylbenzoic acid (7697-28-1) → (4-bromo-3-methylphenyl)(morpholino)methanone (149105-06-6)

Guidance literature:

With potassium carbonate; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

Reference yield: 89.0%

(4-bromo-3-methylphenyl)(morpholino)methanone (149105-06-6) + 2-methyl-4-nitro-benzenamine (99-52-5) → C19H21N3O4

Guidance literature:

With potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; C₃₇H₄₃N₂O₄P; In 1,4-dioxane; at 90 ℃; for 18h;

DOI:10.1021/acscatal.0c04280

upstream raw materials:

morpholine

4-bromo-3-methylbenzoic acid

4-bromo-3-methylbenzoyl chloride

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