Thiourea, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-N'-phenyl-

Base Information

• Chemical Name: Thiourea, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-N'-phenyl-
• CAS No.: 85868-76-4
• Molecular Formula: C₂₇H₃₂N₄O₂S
• Molecular Weight: 476.643
• DSSTox Substance ID: DTXSID70235180
• Wikidata: Q83117045
• Mol file: 85868-76-4.mol

Synonyms:BRN 4607943;Thiourea, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-N'-phenyl-;N-(4-(3-(4-(2-Methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-N'-phenylthiourea;85868-76-4;C27H32N4O2S;DTXSID70235180;C27-H32-N4-O2-S;LS-153550

Chemical Property of Thiourea, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-N'-phenyl-

Chemical Property:

• Vapor Pressure: 2.79E-16mmHg at 25°C
• Boiling Point: 640.1°C at 760 mmHg
• Flash Point: 340.9°C
• Density: 1.229g/cm³
• XLogP3: 5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 476.22459745
• Heavy Atom Count: 34
• Complexity: 587

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4

Technology Process of Thiourea, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-N'-phenyl-

There total 2 articles about Thiourea, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-N'-phenyl- 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: 80.0%

phenyl isothiocyanate (103-72-0) + 1-(4-aminophenoxy)-3-1-4-(2-methoxyphenyl)-piperazinyl>>propane (104655-08-5) → 1-(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy}-phenyl)-3-phenyl-thiourea (85868-76-4)

Guidance literature:

In acetone; at 0 ℃; for 16h;

Reference yield:

1-(4-nitrophenoxy)-3-1-(N4-(2-methoxyphenyl)piperazinyl)>propane (84344-55-8) → 1-(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy}-phenyl)-3-phenyl-thiourea (85868-76-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / H₂, Raney-nickel / ethanol / 4 h / 2585.7 Torr

2: 80 percent / acetone / 16 h / 0 °C

With hydrogen; nickel; In ethanol; acetone;

upstream raw materials:

phenyl isothiocyanate

1-(4-aminophenoxy)-3-1-4-(2-methoxyphenyl)-piperazinyl>>propane

1-(4-nitrophenoxy)-3-1-(N⁴-(2-methoxyphenyl)piperazinyl)>propane