4-(4-Chloro-3-nitrobenzoyl)morpholine

Base Information

• Chemical Name: 4-(4-Chloro-3-nitrobenzoyl)morpholine
• CAS No.: 174482-89-4
• Molecular Formula: C11H11ClN2O4
• Molecular Weight: 270.672
• DSSTox Substance ID: DTXSID20352174
• Wikidata: Q82129188
• Mol file: 174482-89-4.mol

Synonyms:4-(4-CHLORO-3-NITROBENZOYL)MORPHOLINE;174482-89-4;(4-chloro-3-nitrophenyl)-morpholin-4-ylmethanone;CHEMBRDG-BB 5258414;Oprea1_184376;Oprea1_408894;CBDivE_015691;(4-chloro-3-nitrophenyl)(morpholin-4-yl)methanone;DTXSID20352174;MFCD00583780;STK150255;AKOS000200462;LS-07300;CS-0307748;EN300-06252;AB00077092-01

Chemical Property of 4-(4-Chloro-3-nitrobenzoyl)morpholine

Chemical Property:

• Vapor Pressure: 8.95E-09mmHg at 25°C
• Boiling Point: 463.6°C at 760 mmHg
• Flash Point: 234.2°C
• PSA: 75.36000
• Density: 1.429g/cm³
• LogP: 2.18170
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 270.0407345
• Heavy Atom Count: 18
• Complexity: 328

Purity/Quality:

99% ^*data from raw suppliers

4-(4-Chloro-3-nitrobenzoyl)morpholine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Technology Process of 4-(4-Chloro-3-nitrobenzoyl)morpholine

There total 3 articles about 4-(4-Chloro-3-nitrobenzoyl)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:

morpholine (110-91-8,99108-56-2) + 4-chloro-3-nitro-benzoyl chloride (38818-50-7) → (4-chloro-3-nitrophenyl)(morpholino)methanone (174482-89-4)

Guidance literature:

In dichloromethane; at 20 ℃; for 16h;

DOI:10.1016/j.bmc.2012.09.011

Reference yield:

morpholine (110-91-8,99108-56-2) + 4-chloro-3-nitrobenzoate (96-99-1) → (4-chloro-3-nitrophenyl)(morpholino)methanone (174482-89-4)

Guidance literature:

In thionyl chloride; dichloromethane; water;

Reference yield:

4-chloro-3-nitrobenzoate (96-99-1) → (4-chloro-3-nitrophenyl)(morpholino)methanone (174482-89-4)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 2 h / 80 °C

2: dichloromethane / 16 h / 20 °C

With thionyl chloride; In dichloromethane;

DOI:10.1016/j.bmc.2012.09.011

upstream raw materials:

morpholine

4-chloro-3-nitrobenzoate

4-chloro-3-nitro-benzoyl chloride

Downstream raw materials:

4-n-amylamino-3-nitrobenzoic acid morpholide

morpholino(3-nitro-4-(piperazin-1-yl)phenyl)methanone

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