3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone

Base Information

• Chemical Name: 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone
• CAS No.: 42585-59-1
• Molecular Formula: C21H26N2O3
• Molecular Weight: 354.4427
• DSSTox Substance ID: DTXSID10962584
• Nikkaji Number: J90.751K

Synonyms:BRN 0842016;42585-59-1;3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone;ACETOPHENONE, 3'-((2-HYDROXY-3-(4-PHENYLPIPERAZINYL))PROPOXY)-;DTXSID10962584;AKOS008570487;LS-13587;3'-[2-Hydroxy-3-(4-phenylpiperazino)propoxy]acetophenone;1-{3-[2-Hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl}ethan-1-one;Ethanone, 1-[3-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]phenyl]-

Chemical Property of 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone

Chemical Property:

• Vapor Pressure: 5.28E-13mmHg at 25°C
• Boiling Point: 551.6°C at 760 mmHg
• Flash Point: 287.4°C
• Density: 1.163g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 354.19434270
• Heavy Atom Count: 26
• Complexity: 431

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O

Technology Process of 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone

There total 3 articles about 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone 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:

3-Hydroxyacetophenone (121-71-1) → 1-{3-[2-hydroxy-3-(4-phenyl-piperazin-1-yl)-propoxy]-phenyl}-ethanone (42585-59-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: (CF₃)3COH / chiral polymer-supported Co(salen) complex / 6 h / 4 - 25 °C

1.2: KOH / diethyl ether / 3 h / 25 °C

2.1: Yb(OTf)3 / CH₂Cl₂ / 16 h / 25 °C

With 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol; ytterbium(III) triflate; chiral polymer-supported Co(salen) complex; In dichloromethane;

DOI:10.1021/ol990920q

Reference yield:

C11H12O3 (250778-98-4) + 4-phenyl-1-piperazine (92-54-6) → 1-{3-[2-hydroxy-3-(4-phenyl-piperazin-1-yl)-propoxy]-phenyl}-ethanone (42585-59-1)

Guidance literature:

With ytterbium(III) triflate; In dichloromethane; at 25 ℃; for 16h;

DOI:10.1021/ol990920q

Reference yield:

→ 1-{3-[2-hydroxy-3-(4-phenyl-piperazin-1-yl)-propoxy]-phenyl}-ethanone (42585-59-1)

Guidance literature:

1-(3-Acetylphenoxy)-2,3-epoxypropan, N-Phenylpiperazin;

DOI:10.1021/jm00265a012

upstream raw materials:

C₁₁H₁₂O₃

4-phenyl-1-piperazine

3-Hydroxyacetophenone

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