Fallypride

Base Information

• Chemical Name: Fallypride
• CAS No.: 166173-78-0
• Molecular Formula: C₂₀H₂₉FN₂O₃
• Molecular Weight: 364.46
• UNII: G9FWZ369GX
• DSSTox Substance ID: DTXSID30937173
• Nikkaji Number: J768.267K
• Wikipedia: Fallypride
• Wikidata: Q18354718
• Pharos Ligand ID: B27NBKKGDDJM
• Metabolomics Workbench ID: 155318
• ChEMBL ID: CHEMBL392158
• Mol file: 166173-78-0.mol

Synonyms:5-(3-fluoropropyl)-2,3-dimethoxy-N-(((2S)-1-(2-propenyl)-2-pyrrolidinyl)methyl)benzamide;fallypride

Chemical Property of Fallypride

Chemical Property:

• Boiling Point: 451.8 °C at 760 mmHg
• PKA: 14.15±0.46(Predicted)
• Flash Point: 227 °C
• PSA: 50.80000
• Density: 1.079 g/cm³
• LogP: 3.31490
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 364.21622095
• Heavy Atom Count: 26
• Complexity: 449

Purity/Quality:

99% ^*data from raw suppliers

Fallypride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)C(=O)NCC2CCCN2CC=C)CCCF
• Isomeric SMILES: COC1=CC(=CC(=C1OC)C(=O)NC[C@@H]2CCCN2CC=C)CCCF
• Uses: Fallypride is a selective dopamine D2/D3 receptor antagonist. Carbon labeled and fluorine labeled fallypride can be used as radiotracers for Positron Emission Tomography (PET).

Technology Process of Fallypride

There total 3 articles about Fallypride 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: 64.0%

(S)-3-(3-((1-allylpyrrolidin-2-yl)methylcarbamoyl)-4,5-dimethoxyphenyl)propyl 4-methylbenzenesulfonate (166173-74-6) → (S)-N-[(1-allyl-2-pyrrolidinyl)methyl]-5-(3'-fluoropropyl)-2,3-dimethoxybenzamide (166173-78-0)

Guidance literature:

With potassium fluoride; potassium carbonate; [2.2.2]cryptande; In acetonitrile; at 100 ℃; for 0.166667h; Reagent/catalyst;

DOI:10.1002/jlcr.3606

Reference yield: 50.0%

(S)-N-((1-allylpyrrolidin-2-yl)methyl)-5-(3-chloropropyl)-2,3-dimethoxybenzamide (1067233-99-1) → (S)-N-[(1-allyl-2-pyrrolidinyl)methyl]-5-(3'-fluoropropyl)-2,3-dimethoxybenzamide (166173-78-0)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; for 3h; Reflux;

DOI:10.1016/j.bmcl.2008.07.065

Reference yield:

MsFP → (S)-N-[(1-allyl-2-pyrrolidinyl)methyl]-5-(3'-fluoropropyl)-2,3-dimethoxybenzamide (166173-78-0)

Guidance literature:

With tetrabutyl ammonium fluoride; In tert-butyl alcohol; Reflux;

DOI:10.1016/j.bmcl.2008.07.065

upstream raw materials:

(S)-3-(3-((1-allylpyrrolidin-2-yl)methylcarbamoyl)-4,5-dimethoxyphenyl)propyl 4-methylbenzenesulfonate

(S)-N-((1-allylpyrrolidin-2-yl)methyl)-5-(3-chloropropyl)-2,3-dimethoxybenzamide

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 166173-78-0 (S)-5-(3-FLUOROPROPYL)-2,3-DIMETHOXY-N-[[(2S)-1-(2-PROPENYL)-2-PYRROLIDINYL]METHYL]-

Send

Send

Metric Ton KG G Pound L ML

Send

Send