Carbamic acid, (3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)phenyl-, ethyl ester

Base Information

• Chemical Name: Carbamic acid, (3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)phenyl-, ethyl ester
• CAS No.: 143760-30-9
• Molecular Formula: C32H39 F2 N3 O3
• Molecular Weight: 551.6672
• DSSTox Substance ID: DTXSID10932080
• Mol file: 143760-30-9.mol

Synonyms:143760-30-9;Carbamic acid, (3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)phenyl-, ethyl ester;SCHEMBL8613588;DTXSID10932080;C32H39F2N3O3;C32-H39-F2-N3-O3;LS-49007;Ethyl (3-{4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl}-2-hydroxypropyl)phenylcarbamate

Chemical Property of Carbamic acid, (3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)phenyl-, ethyl ester

Chemical Property:

• Vapor Pressure: 3.65E-18mmHg at 25°C
• Boiling Point: 657.1°C at 760 mmHg
• Flash Point: 351.2°C
• Density: 1.191g/cm³
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 13
• Exact Mass: 551.29594844
• Heavy Atom Count: 40
• Complexity: 694

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N(CC(CN1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)O)C4=CC=CC=C4

Technology Process of Carbamic acid, (3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)phenyl-, ethyl ester

There total 3 articles about Carbamic acid, (3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)phenyl-, ethyl ester 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%

1-[4,4-bis(4-fluorophenyl)butyl]piperazine (5631-35-6) + N-(2,3-epoxypropyl)-N-ethoxycarbonylaniline (42592-04-1) → 1-[4,4-bis(4-fluorophenyl)butyl]-4-[3-[(N-ethoxycarbonyl-N-phenyl)amino]-2-hydroxypropyl]piperazine (143760-30-9)

Guidance literature:

In ethanol; at 20 ℃; for 4h;

DOI:10.1016/S0968-0896(03)00061-0

Reference yield:

N-carboethoxyaniline (101-99-5) → 1-[4,4-bis(4-fluorophenyl)butyl]-4-[3-[(N-ethoxycarbonyl-N-phenyl)amino]-2-hydroxypropyl]piperazine (143760-30-9)

Guidance literature:

Multi-step reaction with 2 steps

1: NaH / dimethylformamide / 20 °C

2: ethanol / 20 °C

With sodium hydride; In ethanol; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2004.05.091

Reference yield:

→ 1-[4,4-bis(4-fluorophenyl)butyl]-4-[3-[(N-ethoxycarbonyl-N-phenyl)amino]-2-hydroxypropyl]piperazine (143760-30-9)

Guidance literature:

upstream raw materials:

1-[4,4-bis(4-fluorophenyl)butyl]piperazine

N-(2,3-epoxypropyl)-N-ethoxycarbonylaniline

N-carboethoxyaniline

Downstream raw materials:

1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-hydroxy-3-phenylaminopropyl)-piperazine