N-phenylmorpholine-4-carbothioamide

Base Information

• Chemical Name: N-phenylmorpholine-4-carbothioamide
• CAS No.: 15093-54-6
• Molecular Formula: C11H14N2OS
• Molecular Weight: 222.311
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90349910
• Nikkaji Number: J122.328C
• ChEMBL ID: CHEMBL1866436
• Mol file: 15093-54-6.mol

Synonyms:N-phenylmorpholine-4-carbothioamide;15093-54-6;N-Phenyl-4-morpholinecarbothioamide;HMS1680L12;4-Morpholinecarbothioamide, N-phenyl-;morpholin-4-yl(phenylamino)methane-1-thione;CBDivE_000172;MLS000693117;N-Phenylmorpholinoformthioamide;CHEMBL1866436;SCHEMBL19380432;4-Morpholinecarboxanilide, thio-;DTXSID90349910;HMS2606F07;STK391320;AKOS000581394;SMR000284744;AB00073561-01;SR-01000391962;SR-01000391962-1;BRD-K81341820-001-07-8;Z45801124

Chemical Property of N-phenylmorpholine-4-carbothioamide

Chemical Property:

• Melting Point: 147-149 °C(Solv: dichloromethane (75-09-2))
• Boiling Point: 340.9±52.0 °C(Predicted)
• PKA: 14.03±0.20(Predicted)
• PSA: 63.63000
• Density: 1.270±0.06 g/cm3(Predicted)
• LogP: 1.87400
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 222.08268425
• Heavy Atom Count: 15
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1COCCN1C(=S)NC2=CC=CC=C2

Technology Process of N-phenylmorpholine-4-carbothioamide

There total 15 articles about N-phenylmorpholine-4-carbothioamide 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: 92.0%

morpholine (110-91-8,99108-56-2) + N,N-diphenylthiourea (102-08-9) → N-phenyl-1-morpholinethiocarbamide (15093-54-6)

Guidance literature:

With triethylamine; In acetonitrile; for 1.5h; Heating;

DOI:10.1016/0040-4039(93)85067-7

Reference yield: 90.0%

morpholine (110-91-8,99108-56-2) + phenyldithiocarbamic acid triethylamine salt (43009-16-1) → N-phenyl-1-morpholinethiocarbamide (15093-54-6)

Guidance literature:

With ammonium cerium (IV) nitrate; oxygen; In acetonitrile; at 20 ℃; for 12h;

DOI:10.1039/c4ra04628e

Reference yield: 90.0%

morpholine (110-91-8,99108-56-2) + aniline (62-53-3) + 3-methyl-1-(methyldithiocarbonyl)imidazolium iodide → N-phenyl-1-morpholinethiocarbamide (15093-54-6)

Guidance literature:

aniline; 3-methyl-1-(methyldithiocarbonyl)imidazolium iodide; In ethanol; Heating;

morpholine; In ethanol; for 4h;

DOI:10.1016/S0040-4020(99)01026-1

upstream raw materials:

morpholine

thiophosgene

N-phenyl-N',N-dicarbomethoxyguanidine

N,N-diphenylthiourea

Downstream raw materials:

3,5-diphenylthiazolidine-2,4-dione

2-morpholin-4-yl-4-oxo-3,5-diphenyl-4,5-dihydro-thiazolium betaine

N'-(N-phenyl-morpholine-4-carboximidoyl)-hydrazinecarboxylic acid ethyl ester

N-Phenyl-morpholine-4-carboximidothioic acid (Z)-3-oxo-3-phenyl-propenyl ester; compound with perchloric acid