4-Morpholino-3-nitrobenzaldehyde

Base Information

• Chemical Name: 4-Morpholino-3-nitrobenzaldehyde
• CAS No.: 300541-91-7
• Molecular Formula: C11H12N2O4
• Molecular Weight: 236.227
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40371766
• Wikidata: Q82159209
• Mol file: 300541-91-7.mol

Synonyms:300541-91-7;4-Morpholino-3-nitrobenzaldehyde;4-(4-Morpholino)-3-nitrobenzaldehyde;4-morpholin-4-yl-3-nitrobenzaldehyde;4-(Morpholin-4-yl)-3-nitrobenzaldehyde;4-Morpholino-3-nitrobenzenecarbaldehyde;4-(4-morpholinyl)-3-nitrobenzaldehyde;SCHEMBL1418860;DTXSID40371766;LIHKXKQSXJAHBN-UHFFFAOYSA-N;MFCD00439926;STL293665;AKOS000113471;CS-0206521;FT-0619150;EN300-11884;3X-0707;A820163;SR-01000036829;J-515841;SR-01000036829-1;Z31211399;4-morpholino-3-nitro-benzaldehyde;3-Nitro-4-morpholinobenzaldehyde

Chemical Property of 4-Morpholino-3-nitrobenzaldehyde

Chemical Property:

• Vapor Pressure: 1.18E-07mmHg at 25°C
• Melting Point: 53oC
• Boiling Point: 431.6oC at 760 mmHg
• PKA: -0.58±0.40(Predicted)
• Flash Point: 214.8oC
• PSA: 75.36000
• Density: 1.34g/cm3
• LogP: 1.83210
• Sensitive.: Air Sensitive
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 236.07970687
• Heavy Atom Count: 17
• Complexity: 286

Purity/Quality:

99% ^*data from raw suppliers

4-(Morpholin-4-yl)-3-nitrobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=C(C=C(C=C2)C=O)[N+](=O)[O-]

Technology Process of 4-Morpholino-3-nitrobenzaldehyde

There total 2 articles about 4-Morpholino-3-nitrobenzaldehyde 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: 100.0%

morpholine (110-91-8,99108-56-2) + 4-fluoro-3-nitrobenzaldehyde (42564-51-2) → 4-morpholin-4-yl-3-nitrobenzaldehyde (300541-91-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 ℃; for 5h;

Reference yield: 61.0%

morpholine (110-91-8,99108-56-2) + 4-chloro-3-nitro-benzaldehyde (16588-34-4) → 4-morpholin-4-yl-3-nitrobenzaldehyde (300541-91-7)

Guidance literature:

With 1,10-Phenanthroline; In N,N,N,N,N,N-hexamethylphosphoric triamide; at 80 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.cclet.2010.03.028

Reference yield: 52.0%

4-morpholin-4-yl-3-nitrobenzaldehyde (300541-91-7) + N1-bicyclo[2.2.1]hept-5-en-2-ylhydrazine-1-carbothioamide (257880-77-6) → 4-(Bicyclo[2.2.1]hept-5-en-2-yl)-1-(4-morpholino-3-nitrobenzylidene)thiosemicarbazide

Guidance literature:

upstream raw materials:

morpholine

4-chloro-3-nitro-benzaldehyde

4-fluoro-3-nitrobenzaldehyde

Downstream raw materials:

4-(4-[1,3]dioxolan-2-yl-2-nitro-phenyl)-morpholine

Refernces

• 1、 -. "Small molecule thienopyrimidine-based protein tyrosine kinase inhibitors". Page/Page column 42. . Retrieved 2010/02/15.