4-(3-Nitrobenzyl)morpholine

Base Information

• Chemical Name: 4-(3-Nitrobenzyl)morpholine
• CAS No.: 123207-57-8
• Molecular Formula: C11H14 N2 O3
• Molecular Weight: 222.244
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40354812
• Wikidata: Q82133250
• Mol file: 123207-57-8.mol

Synonyms:4-(3-nitrobenzyl)morpholine;123207-57-8;4-[(3-nitrophenyl)methyl]morpholine;Morpholine, 4-[(3-nitrophenyl)methyl]-;Cambridge id 5428170;Oprea1_265975;SCHEMBL357155;DTXSID40354812;MORMTYLSFKKOGP-UHFFFAOYSA-N;YEA20757;AKOS016002643;BS-19549;CS-0206417;FT-0643000;AB00085169-01;EN300-1196748;A805165;A890834;SR-01000209001;SR-01000209001-1;W-205161

Chemical Property of 4-(3-Nitrobenzyl)morpholine

Chemical Property:

• Vapor Pressure: 5.61E-05mmHg at 25°C
• Melting Point: 73 °C
• Refractive Index: 1.578
• Boiling Point: 346.8°Cat760mmHg
• Flash Point: 163.5°C
• PSA: 58.29000
• Density: 1.243g/cm³
• LogP: 1.88810
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 222.10044231
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

97% ^*data from raw suppliers

4-(3-nitrobenzyl)morpholine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1CC2=CC(=CC=C2)[N+](=O)[O-]

Technology Process of 4-(3-Nitrobenzyl)morpholine

There total 3 articles about 4-(3-Nitrobenzyl)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: 95.0%

morpholine (110-91-8,99108-56-2) + 1-bromomethyl-3-nitrobenzene (3958-57-4) → 3-(N-Morpholinomethyl)-1-nitrobenzene (123207-57-8)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; water; at 20 ℃; for 0.25h;

Reference yield: 55.0%

morpholine (110-91-8,99108-56-2) + 3-nitro-benzaldehyde (99-61-6) → 3-(N-Morpholinomethyl)-1-nitrobenzene (123207-57-8)

Guidance literature:

With sodium cyanoborohydride; zinc(II) chloride; In methanol;

DOI:10.1021/jm00163a053

Reference yield: 41.5%

→ 3-(N-Morpholinomethyl)-1-nitrobenzene (123207-57-8)

Guidance literature:

With sodium chlorite; aminosulfonic acid; In tetrahydrofuran; water; dimethyl sulfoxide; at 20 ℃; Inert atmosphere;

With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

upstream raw materials:

morpholine

3-nitro-benzaldehyde

1-bromomethyl-3-nitrobenzene

Downstream raw materials:

3-[(4-morpholinyl)methyl]aniline

1-(4-(3-aminophenyl)piperazin-1-yl)ethanone