Flibanserin hydrochloride

Base Information

• Chemical Name: Flibanserin hydrochloride
• CAS No.: 147359-76-0
• Molecular Formula: C20H21 F3 N4 O . Cl H
• Molecular Weight: 426.869
• UNII: 96XTC36K1B
• Wikidata: Q27271942
• Mol file: 147359-76-0.mol

Synonyms:Flibanserin hydrochloride;147359-76-0;Flibanserin HCl;Flibaserin;Flibanserin hydrochloride [MI];Flibanserin (Hydrochloride);UNII-96XTC36K1B;96XTC36K1B;3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one;hydrochloride;2H-Benzimidazol-2-one, 1,3-dihydro-1-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, hydrochloride;1-(2-(4-(3-(Trifluoromethyl)phenyl)piperazin-1-yl)ethyl)-1,3-dihydro-2H-benzo[d]imidazol-2-one hydrochloride;Flibanserinhydrochloride;BIMT 17 Hydrochloride;BIMT 17BS Hydrochloride;1-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride;SCHEMBL563586;HY-A0095A;XGAGFLQFMFCIHZ-UHFFFAOYSA-N;AMY16553;BCP15754;EX-A2808;XFA35976;MFCD29058559;AKOS026674090;DS-9963;2H-Benzimidazol-2-one, 1,3-dihydro-1-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]-, hydrochloride (1:1);AC-31715;CS-0027380;A925155;Q27271942;1-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one hydrochloride

Chemical Property of Flibanserin hydrochloride

Chemical Property:

• Appearance/Colour: White Solid
• Melting Point: >225°C (dec.)
• PSA: 44.27000
• LogP: 3.97550
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 426.1434235
• Heavy Atom Count: 29
• Complexity: 550

Purity/Quality:

99%min ^*data from raw suppliers

FlibanserinHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCN2C3=CC=CC=C3NC2=O)C4=CC=CC(=C4)C(F)(F)F.Cl
• Uses: Flibanserin is a 5-HT1A agonist and 5-HT2A antagonist that is developed for the treatment of hypoactive sexual desire disorder in women (1,2).

Technology Process of Flibanserin hydrochloride

There total 10 articles about Flibanserin hydrochloride 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: 96.5%

2-ethoxy-1-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazole → BIMT 17 hydrochloride (147359-76-0)

Guidance literature:

With hydrogenchloride; In isopropyl alcohol; at 70 ℃; for 2h;

DOI:10.1021/acs.oprd.6b00108

Reference yield: 78.8%

1-(prop-1-en-2-yl)-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethyl)-1H-benzo[d]imidazol-2(3H)-one (1971858-36-2) → BIMT 17 hydrochloride (147359-76-0)

Guidance literature:

With hydrogenchloride; In methanol; water; for 0.166667h; Reflux;

Reference yield: 77.0%

1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one (52099-72-6) + 1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane (57061-71-9) → BIMT 17 hydrochloride (147359-76-0)

Guidance literature:

1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one; 1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane; With potassium carbonate; In dimethyl sulfoxide; at 58 ℃; for 8h; Large scale;

With hydrogenchloride; In ethanol; water; at 65 ℃; for 2h; Temperature; Large scale;

upstream raw materials:

flibanserin

1,2-diamino-benzene

2-ethoxy-1H-benzo[d]imidazole

1,3-dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one

Downstream raw materials:

flibanserin