1-(1,3-Benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazino]-1-propanone

Base Information

• Chemical Name: 1-(1,3-Benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazino]-1-propanone
• CAS No.: 344569-55-7
• Molecular Formula: C₂₀H₂₁FN₂O₃
• Molecular Weight: 356.397
• European Community (EC) Number: 646-666-1
• ChEMBL ID: CHEMBL4754529
• Mol file: 344569-55-7.mol

Synonyms:344569-55-7;1-(1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazino]-1-propanone;1-(1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;1-(Benzo[d][1,3]dioxol-5-yl)-3-(4-(4-fluorophenyl)piperazin-1-yl)propan-1-one;CHEMBL4754529;AKOS005108626;JS-2475;1-(1,3-BENZODIOXOL-5-YL)-3-(4-(4-FLUOROPHENYL)-1-PIPERAZINYL)-1-PROPANONE;1-(2H-1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

Chemical Property of 1-(1,3-Benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazino]-1-propanone

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 356.15362070
• Heavy Atom Count: 26
• Complexity: 476

Purity/Quality:

97% ^*data from raw suppliers

1-(1,3-BENZODIOXOL-5-YL)-3-[4-(4-FLUOROPHENYL)PIPERAZINO]-1-PROPANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCN1CCC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

Technology Process of 1-(1,3-Benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazino]-1-propanone

There total 1 articles about 1-(1,3-Benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazino]-1-propanone 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: 19.0%

1,3-DIOXOLANE (646-06-0) + 1-(benzo[d][1,3]dioxol-6-yl)ethanone (3162-29-6) + 1-(4-Fluorophenyl)piperazine (2252-63-3) → 1-(benzo[d][1,3]dioxol-5-yl)-3-(4-(4-fluorophenyl)piperazin-1-yl)propan-1-one (344569-55-7)

Guidance literature:

With hydrogenchloride; In water; Reflux;

DOI:10.1021/acs.jmedchem.6b00784

upstream raw materials:

1,3-DIOXOLANE

1-(benzo[d][1,3]dioxol-6-yl)ethanone

1-(4-Fluorophenyl)piperazine