Budipine

Base Information

• Chemical Name: Budipine
• CAS No.: 57982-78-2
• Molecular Formula: C21H27 N
• Molecular Weight: 293.452
• Hs Code.: 2933399090
• European Community (EC) Number: 261-062-4
• UNII: L9026OPI2Z
• DSSTox Substance ID: DTXSID20206709
• Nikkaji Number: J14.641B
• Wikipedia: Budipine
• Wikidata: Q28128
• NCI Thesaurus Code: C73271
• Pharos Ligand ID: X7G7JJ9GX9Y4
• Metabolomics Workbench ID: 154304
• ChEMBL ID: CHEMBL334491
• Mol file: 57982-78-2.mol

Synonyms:4,4-diphenyl-1-tert-butylpiperidine hydrochloride;budipine;budipine hydrochloride;Parkinsan

Chemical Property of Budipine

Chemical Property:

• Vapor Pressure: 3.25E-06mmHg at 25°C
• Melting Point: 108.5°C
• Refractive Index: 1.4900 (estimate)
• Boiling Point: 387.6°Cat760mmHg
• PKA: 10.36±0.10(Predicted)
• Flash Point: 168.7°C
• PSA: 3.24000
• Density: 1.009g/cm³
• LogP: 4.80490
• Storage Temp.: 2-8°C
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 293.214349865
• Heavy Atom Count: 22
• Complexity: 313

Purity/Quality:

99% ^*data from raw suppliers

1-(tert-Butyl)-4,4-diphenylpiperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)N1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3
• Description: Parkinsan was launched in Germany as a centrally-active anti-Parkinsonian agent. It can be prepared in three steps: a Mannich-aldol sequence to assemble the 4-phenylpiperidine scaffold followed by a Friedel-Crafts reaction to introduce the second phenyl ring. Parkinsan is effective for the treatment of Parkinsonian tremors and is similar in action to, but more potent than, biperiden. It exhibits use-dependent, open channel, uncompetitive NMDA receptor antagonistic activity. This may occur by binding to the PCP site in addition to interacting with sigma, binding sites in the frontal cortex. Parkinsan is also an antagonist at presynaptic muscarinic autoreceptors but facilitation of direct or indirect dopaminergic transmission does not contribute to its actions. While its mechanism of action is not completely understood, it has a weak inhibitory effect on dopamine reuptake, inhibits evoked GABA release (with low affinity for GABA-A receptors and a lower affinity for benzodiazepine receptors), and has a weak inhibitory effect on MAO-B.
• Therapeutic Function: Antiparkinsonian, Antidepressant

Technology Process of Budipine

There total 2 articles about Budipine 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:

1-tert-butyl-piperidin-4-one (1465-76-5) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → budipine (57982-78-2)

Guidance literature:

With aluminium trichloride; at 60 ℃; for 2h; Yield given;

Reference yield:

(1-tert-butyl-4-hydroxy-4-phenyl-piperidin-3-yl)-phenyl-methanone (81831-81-4) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → budipine (57982-78-2) + 1,4-Bis<1-tert-butyl-4-phenyl-piperidyl-(4)>-benzol

Guidance literature:

With aluminium trichloride; Yield given; 1.) 45 deg C, 30 min, 2.) 50-55 deg C, 1 h;

upstream raw materials:

1-tert-butyl-piperidin-4-one

benzene

(1-tert-butyl-4-hydroxy-4-phenyl-piperidin-3-yl)-phenyl-methanone

Refernces