Morpholin-4-yl(4-nitrophenyl)methane-1-thione

Base Information

• Chemical Name: Morpholin-4-yl(4-nitrophenyl)methane-1-thione
• CAS No.: 50903-04-3
• Molecular Formula: C11H12N2O3S
• Molecular Weight: 252.294
• DSSTox Substance ID: DTXSID00350052
• Nikkaji Number: J389.597A
• Wikidata: Q82125770
• Mol file: 50903-04-3.mol

Synonyms:50903-04-3;morpholin-4-yl(4-nitrophenyl)methane-1-thione;ST049129;Oprea1_090741;SCHEMBL10975877;QEOQJPMQKAEYRZ-UHFFFAOYSA-;DTXSID00350052;QEOQJPMQKAEYRZ-UHFFFAOYSA-N;N-(4-Nitro-thiobenzoyl)-morpholine;STK794821;morpholino(4-nitrophenyl)methanethione;AKOS000348243;morpholin-4-yl(4-nitrophenyl)methanethione;SR-01000089690;SR-01000089690-1;InChI=1/C11H12N2O3S/c14-13(15)10-3-1-9(2-4-10)11(17)12-5-7-16-8-6-12/h1-4H,5-8H2

Chemical Property of Morpholin-4-yl(4-nitrophenyl)methane-1-thione

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 252.05686342
• Heavy Atom Count: 17
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Morpholin-4-yl(4-nitrophenyl)methane-1-thione

There total 8 articles about Morpholin-4-yl(4-nitrophenyl)methane-1-thione 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: 93.0%

morpholine (110-91-8,99108-56-2) + 4-nitrobenzaldehdye (555-16-8) → 4-(p-nitrothiobenzoyl)morpholine (50903-04-3)

Guidance literature:

With sulfur; In neat (no solvent); at 100 ℃; for 0.5h; Green chemistry;

DOI:10.1007/s00706-017-1944-6

Reference yield: 90.0%

morpholine (110-91-8,99108-56-2) + C7H6ClNO2S (859793-64-9) → 4-(p-nitrothiobenzoyl)morpholine (50903-04-3)

Guidance literature:

With triethylamine;

DOI:10.1246/cl.1988.1145

Reference yield: 70.0%

morpholine (110-91-8,99108-56-2) + 1-nitro-4-(2-nitrovinyl)benzene (3156-41-0) → 4-(p-nitrothiobenzoyl)morpholine (50903-04-3)

Guidance literature:

With potassium tert-butylate; sulfur; In dimethyl sulfoxide; at 100 ℃;

DOI:10.1016/j.tetlet.2021.153092

upstream raw materials:

morpholine

(p-nitrophenyl)methanethiol

diethyl p-nitrobenzylphosphonate

4-nitrobenzaldehdye

Downstream raw materials:

1-morpholin-4-yl-1-(4-nitro-phenyl)-methanone

4-(p-nitro-α-methylthiobenzylidene)morpholinium iodide

N-[1-Morpholin-4-yl-1-(4-nitro-phenyl)-meth-(Z)-ylidene]-N'-quinolin-2-yl-hydrazine; hydriodide

4-(4-Methoxy-phenyl)-2-(4-nitro-phenyl)-thiazole-5-carbonitrile