Pirenperone

Base Information

• Chemical Name: Pirenperone
• CAS No.: 75444-65-4
• Molecular Formula: C23H24 F N3 O2
• Molecular Weight: 393.461
• European Community (EC) Number: 278-213-5
• NSC Number: 760095
• UNII: Y9FMC4513X
• DSSTox Substance ID: DTXSID9045182
• Nikkaji Number: J11.309C
• Wikipedia: Pirenperone
• Wikidata: Q27088400
• NCI Thesaurus Code: C66417
• Pharos Ligand ID: 4P423H3564DR
• Metabolomics Workbench ID: 144610
• ChEMBL ID: CHEMBL18331
• Mol file: 75444-65-4.mol

Synonyms:3-(2-(4-(4-fluorobenzoyl)piperidino)ethyl)-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one;pirenperone;R 47456;R 50656;R-47456;R-50656

Chemical Property of Pirenperone

Chemical Property:

• Vapor Pressure: 2.06E-12mmHg at 25°C
• Boiling Point: 556.3°C at 760 mmHg
• Flash Point: 290.2°C
• PSA: 54.68000
• Density: 1.26g/cm³
• LogP: 3.21730
• Solubility.: 0.1 M HCl: 11 mg/mL
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 393.18525518
• Heavy Atom Count: 29
• Complexity: 782

Purity/Quality:

98%min ^*data from raw suppliers

Pirenperone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)N2C=CC=CC2=N1)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F
• Uses: 5-HT2 antagonist Pirenperone is a 5-HT2 serotonin receptor antagonist. Pirenperone also increases phosphorylation in human glioma cells by inhibiting cellular gap junctions.

Technology Process of Pirenperone

There total 2 articles about Pirenperone 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: 60.0%

4-(4-fluorobenzoyl)piperidine hydrochloride (25519-78-2) + 3-(2-chloro-ethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (41078-70-0) → pirenperone (75444-65-4)

Guidance literature:

With sodium carbonate; sodium iodide; In isopropyl alcohol; at 80 ℃; for 18h;

Reference yield:

chloroform (67-66-3,8013-54-5) + 4-(4-fluorobenzoyl)piperidine hydrochloride (25519-78-2) + 4-methyl-2-pentanone (108-10-1) + 3-(2-chloro-ethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (41078-70-0) → pirenperone (75444-65-4)

Guidance literature:

With sodium carbonate; In methanol;

Reference yield:

chloroform (67-66-3,8013-54-5) + N-benzyl-trimethylammonium hydroxide (100-85-6) + pirenperone (75444-65-4) → 3-[2-[4-(4-fluorobenzoyl)-4-(hydroxymethyl)-1-piperidinyl]ethyl]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one dihydrochloride monohydrate

Guidance literature:

With pyridine; paraformaldehyde; In methanol; water; isopropyl alcohol;

upstream raw materials:

chloroform

4-(4-fluorobenzoyl)piperidine hydrochloride

4-methyl-2-pentanone

3-(2-chloro-ethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

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