2-Oxo-2-phenylethyl morpholine-4-carbodithioate

Base Information

• Chemical Name: 2-Oxo-2-phenylethyl morpholine-4-carbodithioate
• CAS No.: 24372-61-0
• Molecular Formula: C13H15NO2S2
• Molecular Weight: 281.4
• DSSTox Substance ID: DTXSID90354125
• Nikkaji Number: J1.022.592B
• Wikidata: Q82132100
• ChEMBL ID: CHEMBL1462037
• Mol file: 24372-61-0.mol

Synonyms:2-oxo-2-phenylethyl morpholine-4-carbodithioate;MLS000569481;24372-61-0;Oprea1_022706;Oprea1_188685;CBDivE_013258;CHEMBL1462037;4-Morpholinecarbodithioic acid, 2-oxo-2-phenylethyl ester;DTXSID90354125;Morpholine-4-carbodithioic acid 2-oxo-2-phenyl-ethyl ester;HMS1579G17;HMS2520L05;STL298470;AKOS000600004;SD-36120;SMR000176616;AB00077713-01

Chemical Property of 2-Oxo-2-phenylethyl morpholine-4-carbodithioate

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 281.05442107
• Heavy Atom Count: 18
• Complexity: 297

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C(=S)SCC(=O)C2=CC=CC=C2

Technology Process of 2-Oxo-2-phenylethyl morpholine-4-carbodithioate

There total 5 articles about 2-Oxo-2-phenylethyl morpholine-4-carbodithioate 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%

morpholinium morpholine-1-carbodithioate (5327-10-6) → 2-oxo-2-phenylethyl morpholine-4-carbodithioate (24372-61-0)

Guidance literature:

In ethanol; for 0.5h; Ambient temperature;

DOI:10.1055/s-1985-31159

Reference yield: 93.0%

morpholine (110-91-8,99108-56-2) + carbon disulfide (75-15-0,12122-00-8) + α-bromoacetophenone (70-11-1) → 2-oxo-2-phenylethyl morpholine-4-carbodithioate (24372-61-0)

Guidance literature:

at 0 - 20 ℃; for 5.5h; neat (no solvent);

DOI:10.1016/j.tet.2010.08.041

Reference yield: 85.0%

ammonium salt of N-morpholino dithiocarbamic acid (49791-54-0) + α-bromoacetophenone (70-11-1) → 2-oxo-2-phenylethyl morpholine-4-carbodithioate (24372-61-0)

Guidance literature:

In ethanol; for 4h; Heating;

upstream raw materials:

morpholine

carbon disulfide

α-bromoacetophenone

ammonium salt of N-morpholino dithiocarbamic acid

Downstream raw materials:

1-benzylthio-2-morpholinothiocarbonyloxy-2-phenylethylene

1-methylthio-2-morpholinothiocarbonyloxy-2-phenylethylene

Morpholine-4-carbodithioic acid 1-methyl-2-oxo-2-phenyl-ethyl ester