N-(4-methoxyphenyl)morpholine-4-carbothioamide

Base Information

• Chemical Name: N-(4-methoxyphenyl)morpholine-4-carbothioamide
• CAS No.: 85557-18-2
• Molecular Formula: C₁₂H₁₆N₂O₂S
• Molecular Weight: 252.337
• European Community (EC) Number: 665-376-6
• DSSTox Substance ID: DTXSID601334357
• Nikkaji Number: J2.049.868D
• Mol file: 85557-18-2.mol

Synonyms:N-(4-methoxyphenyl)morpholine-4-carbothioamide;85557-18-2;N-(4-methoxyphenyl)-4-morpholinecarbothioamide;N4-(4-methoxyphenyl)morpholine-4-carbothioamide;Maybridge1_003428;HMS551D18;DTXSID601334357;STK042056;AKOS003720397

Chemical Property of N-(4-methoxyphenyl)morpholine-4-carbothioamide

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 252.09324893
• Heavy Atom Count: 17
• Complexity: 249

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NC(=S)N2CCOCC2

Technology Process of N-(4-methoxyphenyl)morpholine-4-carbothioamide

There total 9 articles about N-(4-methoxyphenyl)morpholine-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: 100.0%

morpholine (110-91-8,99108-56-2) + ethyl (4-methoxyphenyl)carbamodithioate (56134-95-3) → morpholine-4-carbothioic acid 4-methoxyphenylamide (85557-18-2)

Guidance literature:

at 60 ℃; Neat (no solvent);

DOI:10.1016/j.tetlet.2008.10.063

Reference yield: 99.0%

morpholine (110-91-8,99108-56-2) + 4-Methoxyphenyl isothiocyanate (2284-20-0) → morpholine-4-carbothioic acid 4-methoxyphenylamide (85557-18-2)

Guidance literature:

In acetonitrile; at 25 ℃; for 0.166667h; Milling;

DOI:10.1039/c2gc35799b

Reference yield: 99.0%

morpholine (110-91-8,99108-56-2) + 4-methoxy-aniline (104-94-9) + bis(1H-benzo[d][1,2,3]triazol-1-yl)methanethione (4314-19-6) → morpholine-4-carbothioic acid 4-methoxyphenylamide (85557-18-2)

Guidance literature:

4-methoxy-aniline; bis(1H-benzo[d][1,2,3]triazol-1-yl)methanethione; In tetrahydrofuran; for 36h;

morpholine; With triethylamine; In tetrahydrofuran; for 36h;

DOI:10.1021/jo035680d

upstream raw materials:

morpholine

thiophosgene

N-(p-methoxyphenyl)-N',N-dicarbomethoxyguanidine

4-Methoxyphenyl isothiocyanate